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Molecule
ID:104821
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₇H₃₄
Molecular Mass
238.45186
Exact Mass
238.26605109
Charge
0
InChI
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
InChIKey
ADOBXTDBFNCOBN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC=C
Isomeric Smiles
CCCCCCCCCCCCCCCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
7.72
LogD (pH = 5.5)
7.72
Log P
7.72
Rotatable Bonds
14
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
34.71
Molar Refractivity
80.06
LOG S
-8.47
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
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Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
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ChEBI
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02157313
Sigma Aldrich
H1108
51665
Academic Data
PubChem
23217
ChEBI
CHEBI:64502
Names and Identifiers
IUPAC Traditional name
1-heptadecene
heptadecene
IUPAC name
heptadec-1-ene
Synonyms
1-HEPTADECENE
1-Heptadecene
十七烯
Heptadecene
1-heptadecene
1-heptadecene
Registration numbers
CAS Number
6765-39-5
MDL Number
MFCD00009000
Beilstein Number
1758486
PubChem SID
24895426
24873896
162091732
136349058
EC Number
229-825-6
PubChem CID
23217
PubMed Citation Links
23918548
5685991
1269770
BRENDA Ligand Database
229696
CHEBI ID
CHEBI:77508
CHEBI:64502
ACToR Database
26266-05-7
6765-39-5
BKMS React Database
229696
MetaboLights Database
MTBLS4967
MTBLS2406
SureChEMBL Database
SCHEMBL35407
LIPID MAPS Instance
LMFA11000318
GeneOntology Database
GO:1900874
GO:1900875
CompTox Database
DTXSID00873236
BRENDA Database
4.1.99.5
MetaCyc Database
CPD-14223
Reaxys Registry
1758486
Molecule Details
MP Biomedicals
02157313
1 ml = approx. 0.79 g
Sigma Aldrich
H1108
Packaging
1 g in glass bottle
ChEBI
CHEBI:64502
An unbranched seventeen-carbon alkene with one double bond between C-1 and C-2. It is produced by the Carrion beetles.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
PubChem SID
•
EC Number
•
PubChem CID
•
PubMed Citation Links
•
BRENDA Ligand Database
•
CHEBI ID
•
ACToR Database
•
BKMS React Database
•
MetaboLights Database
•
SureChEMBL Database
•
LIPID MAPS Instance
•
GeneOntology Database
•
CompTox Database
•
BRENDA Database
•
MetaCyc Database
•
Reaxys Registry
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves
Source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Source
Physical Property
Density
0.79 g/ml
Source
0.785 g/mL at 25 °C(lit.)
Source
Melting Point
10-11 °C(lit.)
Source
Boiling Point
157-159 °C/11 mmHg(lit.)
Source
Refractive Index
n20/D 1.441(lit.)
Source
n20/D 1.441
Source
235.4 °F
Source
113 °C
Source
solidification point 9-11 °C
Source
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
CH3(CH2)14CH=CH2
Source
Purity
98%
Source
≥97.0% (GC)
Source
Grade
purum
Source
Flash Point
Transition Temperature