4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one

C15H20O3 — CID 11368654

IUPAC4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one
SMILESC/C=C(C)\C=C(/C)c1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C15H20O3/c1-7-9(2)8-10(3)13-11(4)14(17-6)12(5)15(16)18-13/h7-8H,1-6H3/b9-7-,10-8+
InChIKeyIFHBFWLMLSPISM-FKJILZIQSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds3

About 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one

4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one (PubChem CID 11368654) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one
PubChem CID11368654
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one
SMILESC/C=C(C)\C=C(/C)c1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C15H20O3/c1-7-9(2)8-10(3)13-11(4)14(17-6)12(5)15(16)18-13/h7-8H,1-6H3/b9-7-,10-8+
InChIKeyIFHBFWLMLSPISM-FKJILZIQSA-N
XLogP3.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.63
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 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one (CID 11368654) is 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one is C/C=C(C)\C=C(/C)c1oc(=O)c(C)c(OC)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one?
The InChIKey is IFHBFWLMLSPISM-FKJILZIQSA-N. The full InChI is InChI=1S/C15H20O3/c1-7-9(2)8-10(3)13-11(4)14(17-6)12(5)15(16)18-13/h7-8H,1-6H3/b9-7-,10-8+.
What are the key properties of 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one?
4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one has a molecular weight of 248.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-2-one is sourced from PubChem (CID 11368654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).