4-methylcyclohexan-1-ol

C7H14O — CID 11524

IUPAC4-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](O)CC1
InChIInChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+
InChIKeyMQWCXKGKQLNYQG-KNVOCYPGSA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds

About 4-methylcyclohexan-1-ol

4-methylcyclohexan-1-ol (PubChem CID 11524) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methylcyclohexan-1-ol
PubChem CID11524
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](O)CC1
InChIInChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+
InChIKeyMQWCXKGKQLNYQG-KNVOCYPGSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexan-1-ol?
The IUPAC name of 4-methylcyclohexan-1-ol (CID 11524) is 4-methylcyclohexan-1-ol.
What is the SMILES notation for 4-methylcyclohexan-1-ol?
The canonical SMILES for 4-methylcyclohexan-1-ol is C[C@H]1CC[C@@H](O)CC1.
What is the InChIKey of 4-methylcyclohexan-1-ol?
The InChIKey is MQWCXKGKQLNYQG-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+.
What are the key properties of 4-methylcyclohexan-1-ol?
4-methylcyclohexan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-ol is sourced from PubChem (CID 11524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).