1-methylcyclohexan-1-ol

C7H14O — CID 11550

IUPAC1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1
InChIInChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKeyVTBOTOBFGSVRMA-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.70
Rot. Bonds

About 1-methylcyclohexan-1-ol

1-methylcyclohexan-1-ol (PubChem CID 11550) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methylcyclohexan-1-ol
PubChem CID11550
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1
InChIInChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKeyVTBOTOBFGSVRMA-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexan-1-ol?
The IUPAC name of 1-methylcyclohexan-1-ol (CID 11550) is 1-methylcyclohexan-1-ol.
What is the SMILES notation for 1-methylcyclohexan-1-ol?
The canonical SMILES for 1-methylcyclohexan-1-ol is CC1(O)CCCCC1.
What is the InChIKey of 1-methylcyclohexan-1-ol?
The InChIKey is VTBOTOBFGSVRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3.
What are the key properties of 1-methylcyclohexan-1-ol?
1-methylcyclohexan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexan-1-ol is sourced from PubChem (CID 11550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).