6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one

C15H24O2 — CID 3023999

IUPAC6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one
SMILESCC1=CCCC(C)(C)C1C1CC(=O)OC(C)C1
InChIInChI=1S/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3
InChIKeyBAIZNVNREZOVOH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.71
Rot. Bonds1

About 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one

6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one (PubChem CID 3023999) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one.

Molecular Properties

Compound Name6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one
PubChem CID3023999
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one
SMILESCC1=CCCC(C)(C)C1C1CC(=O)OC(C)C1
InChIInChI=1S/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3
InChIKeyBAIZNVNREZOVOH-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one?
The IUPAC name of 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one (CID 3023999) is 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one.
What is the SMILES notation for 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one?
The canonical SMILES for 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one is CC1=CCCC(C)(C)C1C1CC(=O)OC(C)C1.
What is the InChIKey of 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one?
The InChIKey is BAIZNVNREZOVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3.
What are the key properties of 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one?
6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)oxan-2-one is sourced from PubChem (CID 3023999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).