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Molecule
ID:109066
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₂₀
Molecular Mass
140.2658
Exact Mass
140.15650064
Charge
0
InChI
InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKey
QTYARKOMFKRPSY-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCCCC1)C
Isomeric Smiles
CCC(C)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1305876
LogD (pH = 7.4)
4.1305876
Log P
4.1305876
Molar Refractivity
45.9052
Polarizability
18.47042
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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
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IUPAC name
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PubChem CID
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MP Biomedicals
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From Data Sources
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Data Source
Academic Data
PubChem
23468
Commercial Catalog
MP Biomedicals
05209694
Names and Identifiers
Synonyms
sec-BUTYLCYCLOHEXANE
IUPAC name
butan-2-ylcyclohexane
IUPAC Traditional name
S-butylcyclohexane
Registration numbers
CAS Number
7058-01-7
PubChem SID
162095684
PubChem CID
23468
Properties
Product Information
Certificate of Analysis
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Source
Safety Information
Safety Statements
S:
29
Source
MSDS Link
Download link
Source
Risk Statements
R:
18
Source
European Hazard Symbols
Flammable (F)
Source
Molecule Details
MP Biomedicals
05209694
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay