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7338-43-4 molecular structure
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1-cyclohexylpentan-1-ol

ChemBase ID: 295586
Molecular Formular: C11H22O
Molecular Mass: 170.29178
Monoisotopic Mass: 170.16706532
SMILES and InChIs

SMILES:
CCCCC(C1CCCCC1)O
Canonical SMILES:
CCCCC(C1CCCCC1)O
InChI:
InChI=1S/C11H22O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
InChIKey:
PKXSPCMDZCKLCI-UHFFFAOYSA-N

Cite this record

CBID:295586 http://www.chembase.cn/molecule-295586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexylpentan-1-ol
IUPAC Traditional name
1-cyclohexylpentan-1-ol
Synonyms
n-Butyl cyclohexyl carbinol
1-Cyclohexyl-1-pentanol
1-环己基-1-戊醇
CAS Number
7338-43-4
MDL Number
MFCD00045483
PubChem SID
180681117
PubChem CID
145270

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 145270 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.33387  H Acceptors
H Donor LogD (pH = 5.5) 3.423941 
LogD (pH = 7.4) 3.423941  Log P 3.423941 
Molar Refractivity 52.1511 cm3 Polarizability 20.891735 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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