3-methylcyclohex-3-en-1-ol

C7H12O — CID 566300

IUPAC3-methylcyclohex-3-en-1-ol
SMILESCC1=CCCC(O)C1
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3
InChIKeyHKVFKEJBSWJQMU-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.48
Rot. Bonds

About 3-methylcyclohex-3-en-1-ol

3-methylcyclohex-3-en-1-ol (PubChem CID 566300) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-methylcyclohex-3-en-1-ol
PubChem CID566300
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-methylcyclohex-3-en-1-ol
SMILESCC1=CCCC(O)C1
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3
InChIKeyHKVFKEJBSWJQMU-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohex-3-en-1-ol?
The IUPAC name of 3-methylcyclohex-3-en-1-ol (CID 566300) is 3-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 3-methylcyclohex-3-en-1-ol?
The canonical SMILES for 3-methylcyclohex-3-en-1-ol is CC1=CCCC(O)C1.
What is the InChIKey of 3-methylcyclohex-3-en-1-ol?
The InChIKey is HKVFKEJBSWJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3.
What are the key properties of 3-methylcyclohex-3-en-1-ol?
3-methylcyclohex-3-en-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 566300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).