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'}

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Related Compounds

Kcg 1
CID 126411
Penostatin C
CID 10064968
[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate
CID 44376078
Ardisianone B
CID 6443650
(2R)-2,6,6-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]pyran-3-one
CID 21778693
[(1R,2S,8aR)-4,7-dimethyl-6-oxo-1-propan-2-yl-2,3,5,8a-tetrahydro-1H-naphthalen-2-yl] (E)-but-2-enoate
CID 162853160
[6-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 14802848
[(2S,6R)-6-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 14802849
(2S,6R)-2-(hydroxymethyl)-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 15024569
[(2S,6R)-6-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-2-yl]methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 15024572
2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 44351568
2-(cyclohexen-1-ylmethyl)-6-methyl-2H-pyran-5-one
CID 44351570

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).