2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one

C15H20O3 — CID 72740004

IUPAC2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one
SMILESCCC=C(C)C=C(C)c1cc(=O)c(C)c(OC)o1
InChIInChI=1S/C15H20O3/c1-6-7-10(2)8-11(3)14-9-13(16)12(4)15(17-5)18-14/h7-9H,6H2,1-5H3
InChIKeyPQFNJZQHCVCCPG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.72
Rot. Bonds4

About 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one

2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one (PubChem CID 72740004) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one.

Molecular Properties

Compound Name2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one
PubChem CID72740004
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one
SMILESCCC=C(C)C=C(C)c1cc(=O)c(C)c(OC)o1
InChIInChI=1S/C15H20O3/c1-6-7-10(2)8-11(3)14-9-13(16)12(4)15(17-5)18-14/h7-9H,6H2,1-5H3
InChIKeyPQFNJZQHCVCCPG-UHFFFAOYSA-N
XLogP3.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one?
The IUPAC name of 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one (CID 72740004) is 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one.
What is the SMILES notation for 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one?
The canonical SMILES for 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one is CCC=C(C)C=C(C)c1cc(=O)c(C)c(OC)o1.
What is the InChIKey of 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one?
The InChIKey is PQFNJZQHCVCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-6-7-10(2)8-11(3)14-9-13(16)12(4)15(17-5)18-14/h7-9H,6H2,1-5H3.
What are the key properties of 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one?
2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one has a molecular weight of 248.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-6-(4-methylhepta-2,4-dien-2-yl)pyran-4-one is sourced from PubChem (CID 72740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).