4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one

C13H18O3 — CID 162940800

IUPAC4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one
SMILESCOc1cc(C(C)=CC(C)C)oc(=O)c1C
InChIInChI=1S/C13H18O3/c1-8(2)6-9(3)11-7-12(15-5)10(4)13(14)16-11/h6-8H,1-5H3
InChIKeyKOQRMAQGZJRISQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.02
Rot. Bonds3

About 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one

4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one (PubChem CID 162940800) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one
PubChem CID162940800
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one
SMILESCOc1cc(C(C)=CC(C)C)oc(=O)c1C
InChIInChI=1S/C13H18O3/c1-8(2)6-9(3)11-7-12(15-5)10(4)13(14)16-11/h6-8H,1-5H3
InChIKeyKOQRMAQGZJRISQ-UHFFFAOYSA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-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

4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
CID 163072280
5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 75061205
6-[(E)-4-hydroxybut-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 135563708
(5S)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid
CID 163060152
11-(4-methoxy-5-methyl-6-oxopyran-2-yl)-9-methyldodeca-2,4,6,10-tetraenoic acid
CID 163110607
6-[(Z)-1-(2,3-dimethyloxiran-2-yl)prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 102217554
6-[1-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 162959204
6-[(Z)-1-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 162959203
2-methoxy-3-methyl-6-[(E,4S)-4-methylhex-2-en-2-yl]pyran-4-one
CID 146682271
4-methoxy-3-methyl-6-[(1E,3E)-3-methyl-5-oxohexa-1,3-dienyl]pyran-2-one
CID 53483953
6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one
CID 75130823
(E,3S)-5-(4-methoxy-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 100623149

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one?
The IUPAC name of 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one (CID 162940800) is 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one.
What is the SMILES notation for 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one?
The canonical SMILES for 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one is COc1cc(C(C)=CC(C)C)oc(=O)c1C.
What is the InChIKey of 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one?
The InChIKey is KOQRMAQGZJRISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8(2)6-9(3)11-7-12(15-5)10(4)13(14)16-11/h6-8H,1-5H3.
What are the key properties of 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one?
4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one has a molecular weight of 222.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one is sourced from PubChem (CID 162940800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).