2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one

C10H16O2 — CID 574183

IUPAC2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
SMILESCC1(C)C=C(O)C(=O)C(C)(C)C1
InChIInChI=1S/C10H16O2/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,11H,6H2,1-4H3
InChIKeyZDVYJSLTFYQPID-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds

About 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one

2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one (PubChem CID 574183) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
PubChem CID574183
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
SMILESCC1(C)C=C(O)C(=O)C(C)(C)C1
InChIInChI=1S/C10H16O2/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,11H,6H2,1-4H3
InChIKeyZDVYJSLTFYQPID-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-4,4,6,6-tetramethylcyclohex-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 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The IUPAC name of 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one (CID 574183) is 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The canonical SMILES for 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one is CC1(C)C=C(O)C(=O)C(C)(C)C1.
What is the InChIKey of 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
The InChIKey is ZDVYJSLTFYQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,11H,6H2,1-4H3.
What are the key properties of 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one?
2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one is sourced from PubChem (CID 574183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).