2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one

C15H24O2 — CID 14657303

IUPAC2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one
SMILESCC1=CCC(C2(C)CC(=O)CC(C)(C)O2)CC1
InChIInChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3
InChIKeyFBZSMLWLLPEEKP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds1

About 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one

2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one (PubChem CID 14657303) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one
PubChem CID14657303
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one
SMILESCC1=CCC(C2(C)CC(=O)CC(C)(C)O2)CC1
InChIInChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3
InChIKeyFBZSMLWLLPEEKP-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S-(R*,R*))-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
CID 91700388
Sollasin E
CID 9970696
2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
CID 90807
(6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-one
CID 101162778
(6S)-2,2-dimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-one
CID 102582076
Trichobisabolin M
CID 170989130
Trichobisabolin N
CID 170989132
Methyl 11-epi-6,10-epoxybisabol-3-en-12-oate
CID 91751047
Methyl 7,11-di-epi-6,10-epoxybisabol-3-en-12-oate
CID 91751049
rel-(4aR,8aS)-1,1,6-trimethyl-1,4,4a,7,8,8a-hexahydro-3H-isochromen-3-one
CID 639408
1-(1,3-Dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)-4-methylpent-4-en-2-one
CID 12115337
(4aR,8aR)-1,1,6-trimethyl-4a,7,8,8a-tetrahydro-4H-isochromen-3-one
CID 21603097

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one?
The IUPAC name of 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one (CID 14657303) is 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one.
What is the SMILES notation for 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one?
The canonical SMILES for 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one is CC1=CCC(C2(C)CC(=O)CC(C)(C)O2)CC1.
What is the InChIKey of 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one?
The InChIKey is FBZSMLWLLPEEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one?
2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-4-one is sourced from PubChem (CID 14657303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).