4,6,6-trimethylcyclohex-2-en-1-one

C9H14O — CID 10920581

IUPAC4,6,6-trimethylcyclohex-2-en-1-one
SMILESCC1C=CC(=O)C(C)(C)C1
InChIInChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,7H,6H2,1-3H3
InChIKeyPITBTMDYVRATGN-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds

About 4,6,6-trimethylcyclohex-2-en-1-one

4,6,6-trimethylcyclohex-2-en-1-one (PubChem CID 10920581) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,6,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,6,6-trimethylcyclohex-2-en-1-one
PubChem CID10920581
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4,6,6-trimethylcyclohex-2-en-1-one
SMILESCC1C=CC(=O)C(C)(C)C1
InChIInChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,7H,6H2,1-3H3
InChIKeyPITBTMDYVRATGN-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6,6-trimethylcyclohex-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

Related Compounds

(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide
CID 163628262
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
CID 126757319
(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 23310174
(8R,9R,10S,13S,14S)-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 57349361
4-methylcyclooct-2-en-1-one
CID 91000254
(1R,8R)-3,4,5,6-tetrafluoro-8-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraen-9-one
CID 23272508
2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
CID 24976789
(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one
CID 59039057
2,2,4,5-tetramethylcyclopentan-1-one
CID 13492787
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
(3aR,6aS)-4,4,6a-trimethyl-3aH-pentalen-1-one
CID 162402216

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of 4,6,6-trimethylcyclohex-2-en-1-one (CID 10920581) is 4,6,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4,6,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 4,6,6-trimethylcyclohex-2-en-1-one is CC1C=CC(=O)C(C)(C)C1.
What is the InChIKey of 4,6,6-trimethylcyclohex-2-en-1-one?
The InChIKey is PITBTMDYVRATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,7H,6H2,1-3H3.
What are the key properties of 4,6,6-trimethylcyclohex-2-en-1-one?
4,6,6-trimethylcyclohex-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 10920581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).