cyclohexylmethanol

C7H14O — CID 7507

IUPACcyclohexylmethanol
SMILESOCC1CCCCC1
InChIInChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyVSSAZBXXNIABDN-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds1

About cyclohexylmethanol

cyclohexylmethanol (PubChem CID 7507) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is cyclohexylmethanol.

Molecular Properties

Compound Namecyclohexylmethanol
PubChem CID7507
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namecyclohexylmethanol
SMILESOCC1CCCCC1
InChIInChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyVSSAZBXXNIABDN-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Cyclohexanedimethanol
CID 7735
4-Methylcyclohexanemethanol
CID 118193
2-Methylcyclohexanol
CID 11418
4-Methylcyclohexanol
CID 11524
2-Cyclohexylethanol
CID 20508
(1S,2S)-2-methylcyclohexan-1-ol
CID 642632
4-Methyl-1-heptanol
CID 109451
3-Cyclohexyl-1-propanol
CID 70763
2-Methyl 5-cyclohexylpentanol
CID 44192644
trans-2-Methylcyclohexanol
CID 24004
cis-2-Methylcyclohexanol
CID 24006
Cyclopentaneethanol
CID 69833

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol?
The IUPAC name of cyclohexylmethanol (CID 7507) is cyclohexylmethanol.
What is the SMILES notation for cyclohexylmethanol?
The canonical SMILES for cyclohexylmethanol is OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol?
The InChIKey is VSSAZBXXNIABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2.
What are the key properties of cyclohexylmethanol?
cyclohexylmethanol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol is sourced from PubChem (CID 7507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).