6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one

C16H22O4 — CID 75130823

IUPAC6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one
SMILESCOc1cc(=O)oc(C(C)=CC(C)=CC(C)CO)c1C
InChIInChI=1S/C16H22O4/c1-10(6-11(2)9-17)7-12(3)16-13(4)14(19-5)8-15(18)20-16/h6-8,11,17H,9H2,1-5H3
InChIKeyPZUWFORRPJJCHO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.93
Rot. Bonds5

About 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one

6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one (PubChem CID 75130823) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one.

Molecular Properties

Compound Name6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one
PubChem CID75130823
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one
SMILESCOc1cc(=O)oc(C(C)=CC(C)=CC(C)CO)c1C
InChIInChI=1S/C16H22O4/c1-10(6-11(2)9-17)7-12(3)16-13(4)14(19-5)8-15(18)20-16/h6-8,11,17H,9H2,1-5H3
InChIKeyPZUWFORRPJJCHO-UHFFFAOYSA-N
XLogP2.93
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one?
The IUPAC name of 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one (CID 75130823) is 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one.
What is the SMILES notation for 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one?
The canonical SMILES for 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one is COc1cc(=O)oc(C(C)=CC(C)=CC(C)CO)c1C.
What is the InChIKey of 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one?
The InChIKey is PZUWFORRPJJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-10(6-11(2)9-17)7-12(3)16-13(4)14(19-5)8-15(18)20-16/h6-8,11,17H,9H2,1-5H3.
What are the key properties of 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one?
6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one has a molecular weight of 278.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-4,6-dimethylhepta-2,4-dien-2-yl)-4-methoxy-5-methylpyran-2-one is sourced from PubChem (CID 75130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).