2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one

C13H18O2 — CID 14802850

IUPAC2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
SMILESCC1=CCCCC1C1OC(C)C=CC1=O
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-12(14)8-7-10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3
InChIKeySTOZPHLAYABICO-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.65
Rot. Bonds1

About 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one

2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one (PubChem CID 14802850) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
PubChem CID14802850
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
SMILESCC1=CCCCC1C1OC(C)C=CC1=O
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-12(14)8-7-10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3
InChIKeySTOZPHLAYABICO-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-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-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The IUPAC name of 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one (CID 14802850) is 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one.
What is the SMILES notation for 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The canonical SMILES for 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one is CC1=CCCCC1C1OC(C)C=CC1=O.
What is the InChIKey of 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
The InChIKey is STOZPHLAYABICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)13-12(14)8-7-10(2)15-13/h5,7-8,10-11,13H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one?
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one has a molecular weight of 206.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one is sourced from PubChem (CID 14802850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).