6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one

C15H24O2 — CID 14633003

IUPAC6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)C1C=CC(C)(O)CC1
InChIInChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3
InChIKeyOZDOAMOSJAOPRV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds4

About 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one

6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one (PubChem CID 14633003) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one.

Molecular Properties

Compound Name6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one
PubChem CID14633003
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)C1C=CC(C)(O)CC1
InChIInChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3
InChIKeyOZDOAMOSJAOPRV-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one?
The IUPAC name of 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one (CID 14633003) is 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one.
What is the SMILES notation for 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one?
The canonical SMILES for 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one is CC(C)=CC(=O)CC(C)C1C=CC(C)(O)CC1.
What is the InChIKey of 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one?
The InChIKey is OZDOAMOSJAOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3.
What are the key properties of 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one?
6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one is sourced from PubChem (CID 14633003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).