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Molecule
ID:112255
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/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3
InChIKey
XQQVOBPJWHQXEN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC1CCCCC1
Isomeric Smiles
CCCCCCCCCCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.400118
LogD (pH = 7.4)
7.400118
Log P
7.400118
Molar Refractivity
78.1646
Polarizability
31.399714
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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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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References
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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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Synonyms
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IUPAC Traditional name
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IUPAC name
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CAS Number
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PubChem CID
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PubChem SID
Properties
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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
05223170
Academic Data
PubChem
40997
Names and Identifiers
Synonyms
n-UNDECYL CYCLOHEXANE
IUPAC Traditional name
undecylcyclohexane
IUPAC name
undecylcyclohexane
Registration numbers
CAS Number
54105-66-7
PubChem CID
40997
PubChem SID
162097225
Molecule Details
MP Biomedicals
05223170
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
MSDS Link
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Source
European Hazard Symbols
Flammable (F)
Source
S:
29
Source
R:
18
Source
Product Information
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Source
Safety Statements
Risk Statements
Certificate of Analysis