cyclohexanol

C6H12O — CID 7966

IUPACcyclohexanol
SMILESOC1CCCCC1
InChIInChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyHPXRVTGHNJAIIH-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.31
Rot. Bonds

About cyclohexanol

cyclohexanol (PubChem CID 7966) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is cyclohexanol.

Molecular Properties

Compound Namecyclohexanol
PubChem CID7966
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Namecyclohexanol
SMILESOC1CCCCC1
InChIInChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyHPXRVTGHNJAIIH-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hexanol
CID 12297
trans-1,2-Cyclohexanediol
CID 92886
cis-1,2-Cyclohexanediol
CID 92903
1,4-Cyclohexanediol
CID 11162
1,2-Cyclohexanediol
CID 13601
1,2-Cyclohexanediol, (1S-trans)-
CID 7057110
(2S)-hexan-2-ol
CID 638097
(2H12)Cyclohexanol
CID 2723969
2-Hexanol, (R)-
CID 6993810
(1S,2S)-2-fluorocyclohexan-1-ol
CID 9964083
(1R,2R)-2-fluorocyclohexan-1-ol
CID 12700773
2-Fluorocyclohexan-1-ol
CID 11506449

Frequently Asked Questions

What is the IUPAC name of cyclohexanol?
The IUPAC name of cyclohexanol (CID 7966) is cyclohexanol.
What is the SMILES notation for cyclohexanol?
The canonical SMILES for cyclohexanol is OC1CCCCC1.
What is the InChIKey of cyclohexanol?
The InChIKey is HPXRVTGHNJAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of cyclohexanol?
cyclohexanol has a molecular weight of 100.16 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol is sourced from PubChem (CID 7966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).