2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one

C11H20O2 — CID 23508634

IUPAC2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one
SMILESCC(C)(O)C(=O)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,13)9(12)11(3)7-5-4-6-8-11/h13H,4-8H2,1-3H3
InChIKeyPHZJSSYGMRAINT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one

2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one (PubChem CID 23508634) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one
PubChem CID23508634
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one
SMILESCC(C)(O)C(=O)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,13)9(12)11(3)7-5-4-6-8-11/h13H,4-8H2,1-3H3
InChIKeyPHZJSSYGMRAINT-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-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 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one (CID 23508634) is 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one is CC(C)(O)C(=O)C1(C)CCCCC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one?
The InChIKey is PHZJSSYGMRAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,13)9(12)11(3)7-5-4-6-8-11/h13H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one?
2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(1-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 23508634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).