4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one

C10H16O2 — CID 58388193

IUPAC4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one
SMILESCC(C)(O)C1(C)C=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-9(2,12)10(3)6-4-8(11)5-7-10/h4,6,12H,5,7H2,1-3H3
InChIKeySCDAGGLWEATAIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one

4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one (PubChem CID 58388193) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one
PubChem CID58388193
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one
SMILESCC(C)(O)C1(C)C=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-9(2,12)10(3)6-4-8(11)5-7-10/h4,6,12H,5,7H2,1-3H3
InChIKeySCDAGGLWEATAIO-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one (CID 58388193) is 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one is CC(C)(O)C1(C)C=CC(=O)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one?
The InChIKey is SCDAGGLWEATAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,12)10(3)6-4-8(11)5-7-10/h4,6,12H,5,7H2,1-3H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one?
4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 58388193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).