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

C15H20O3 — CID 23428093

IUPAC2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one
SMILESC/C=C(C)\C=C(/C)c1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C15H20O3/c1-7-9(2)8-10(3)14-11(4)13(16)12(5)15(17-6)18-14/h7-8H,1-6H3/b9-7-,10-8+
InChIKeyIDTMJMBDTGUTDU-FKJILZIQSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds3

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

2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one (PubChem CID 23428093) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one.

Molecular Properties

Compound Name2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one
PubChem CID23428093
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one
SMILESC/C=C(C)\C=C(/C)c1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C15H20O3/c1-7-9(2)8-10(3)14-11(4)13(16)12(5)15(17-6)18-14/h7-8H,1-6H3/b9-7-,10-8+
InChIKeyIDTMJMBDTGUTDU-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 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one?
The IUPAC name of 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one (CID 23428093) is 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one.
What is the SMILES notation for 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one?
The canonical SMILES for 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one is C/C=C(C)\C=C(/C)c1oc(OC)c(C)c(=O)c1C.
What is the InChIKey of 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one?
The InChIKey is IDTMJMBDTGUTDU-FKJILZIQSA-N. The full InChI is InChI=1S/C15H20O3/c1-7-9(2)8-10(3)14-11(4)13(16)12(5)15(17-6)18-14/h7-8H,1-6H3/b9-7-,10-8+.
What are the key properties of 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one?
2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-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 2-methoxy-3,5-dimethyl-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]pyran-4-one is sourced from PubChem (CID 23428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).