4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one

C10H16O2 — CID 79189483

IUPAC4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
SMILESCC(C)=CC1(O)CCC(=O)CC1
InChIInChI=1S/C10H16O2/c1-8(2)7-10(12)5-3-9(11)4-6-10/h7,12H,3-6H2,1-2H3
InChIKeyLGKPCGUQMWLKRG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds1

About 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one

4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one (PubChem CID 79189483) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
PubChem CID79189483
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
SMILESCC(C)=CC1(O)CCC(=O)CC1
InChIInChI=1S/C10H16O2/c1-8(2)7-10(12)5-3-9(11)4-6-10/h7,12H,3-6H2,1-2H3
InChIKeyLGKPCGUQMWLKRG-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 688492
CID 688492
CID 5280662
CID 5280662
CID 688494
CID 688494
CID 440265
CID 440265
CID 162850596
CID 162850596
CID 5371378
CID 5371378
CID 439748
CID 439748
CID 11018952
CID 11018952
CID 14759598
CID 14759598
CID 15422149
CID 15422149
CID 141486234
CID 141486234
CID 579915
CID 579915

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one (CID 79189483) is 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one is CC(C)=CC1(O)CCC(=O)CC1.
What is the InChIKey of 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one?
The InChIKey is LGKPCGUQMWLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)7-10(12)5-3-9(11)4-6-10/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one?
4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one is sourced from PubChem (CID 79189483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).