4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one

C17H24O4 — CID 170990483

IUPAC4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one
SMILESCC[C@H](C)C=C(C)C=C[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C17H24O4/c1-5-11(2)8-12(3)6-7-14(18)9-15-10-16(19)13(4)17(20)21-15/h6-8,10-11,14,18-19H,5,9H2,1-4H3/t11-,14-/m0/s1
InChIKeyCDGZDKQDULYHMO-FZMZJTMJSA-N
MW292.38 g/mol
LogP3.11
Rot. Bonds6

About 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one

4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one (PubChem CID 170990483) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one
PubChem CID170990483
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one
SMILESCC[C@H](C)C=C(C)C=C[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C17H24O4/c1-5-11(2)8-12(3)6-7-14(18)9-15-10-16(19)13(4)17(20)21-15/h6-8,10-11,14,18-19H,5,9H2,1-4H3/t11-,14-/m0/s1
InChIKeyCDGZDKQDULYHMO-FZMZJTMJSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
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 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one (CID 170990483) is 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one is CC[C@H](C)C=C(C)C=C[C@H](O)Cc1cc(O)c(C)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one?
The InChIKey is CDGZDKQDULYHMO-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-11(2)8-12(3)6-7-14(18)9-15-10-16(19)13(4)17(20)21-15/h6-8,10-11,14,18-19H,5,9H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one?
4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(2R,7S)-2-hydroxy-5,7-dimethylnona-3,5-dienyl]-3-methylpyran-2-one is sourced from PubChem (CID 170990483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).