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Molecule
ID:131304
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₅H₃₀
Molecular Mass
210.3987
Exact Mass
210.23475096
Charge
0
InChI
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
InChIKey
PJLHTVIBELQURV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC=C
Isomeric Smiles
CCCCCCCCCCCCCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
6.83
LogD (pH = 5.5)
6.83
Log P
6.83
Rotatable Bonds
12
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
30.26
Molar Refractivity
70.86
LOG S
-7.44
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Safety Information
•
Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
•
ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
P4764
222887
76570
Academic Data
PubChem
25913
ChEBI
CHEBI:77506
Names and Identifiers
IUPAC Traditional name
1-pentadecene
Synonyms
1-十五烯
1-Pentadecene
1-pentadecene
Pentadecene
1-pentadecene
IUPAC name
pentadec-1-ene
Registration numbers
EC Number
236-414-5
MDL Number
MFCD00008987
Beilstein Number
1751011
CAS Number
13360-61-7
PubChem SID
24853358
24887017
162225582
223438511
PubChem CID
25913
MetaboLights Database
MTBLS2053
MTBLS867
MTBLS2224
MTBLS2406
PubMed Citation Links
21549820
16417979
17736498
SureChEMBL Database
SCHEMBL35122
ACToR Database
70955-10-1
13360-61-7
CHEBI ID
CHEBI:77506
CHEBI:64501
GeneOntology Database
GO:1900872
GO:1900873
HMDB Database
HMDB0031082
CompTox Database
DTXSID1065421
Reaxys Registry
1751011
MetaCyc Database
CPD-14227
Properties
Safety Information
Storage Temperature
2-8°C
Source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Source
Eyeshields, Gloves
Source
German water hazard class
3
Source
MSDS Link
Download link
Source
Download link
Source
Physical Property
Density
0.775 g/mL at 25 °C(lit.)
Source
Flash Point
230 °F
Source
110 °C
Source
Melting Point
-4 °C(lit.)
Source
Boiling Point
268-269 °C(lit.)
Source
Refractive Index
n20/D 1.439(lit.)
Source
n20/D 1.439
Source
Product Information
Purity
98%
Source
≥99.5% (GC)
Source
Linear Formula
CH3(CH2)12CH=CH2
Source
Grade
analytical standard
Source
Shelf Life
(limited shelf life, expiry date on the label)
Source
Molecule Details
Sigma Aldrich
222887
Packaging
5 mL in glass bottle
ChEBI
CHEBI:77506
An unbranched fifteen-carbon alkene with one double bond between C-1 and C-2.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
MDL Number
•
Beilstein Number
•
CAS Number
•
PubChem SID
•
PubChem CID
•
MetaboLights Database
•
PubMed Citation Links
•
SureChEMBL Database
•
ACToR Database
•
CHEBI ID
•
GeneOntology Database
•
HMDB Database
•
CompTox Database
•
Reaxys Registry
•
MetaCyc Database