(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one

C24H32O2 — CID 122662633

IUPAC(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc(C(C)C)cc2)OC1=O
InChIInChI=1S/C24H32O2/c1-17(2)8-6-9-19(5)10-7-11-22-16-23(26-24(22)25)21-14-12-20(13-15-21)18(3)4/h8,10,12-16,18,23H,6-7,9,11H2,1-5H3/b19-10+/t23-/m1/s1
InChIKeyBJVIHVBQYYYUPN-ALMVOQMYSA-N
MW352.52 g/mol
LogP6.81
Rot. Bonds8

About (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one

(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one (PubChem CID 122662633) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one
PubChem CID122662633
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc(C(C)C)cc2)OC1=O
InChIInChI=1S/C24H32O2/c1-17(2)8-6-9-19(5)10-7-11-22-16-23(26-24(22)25)21-14-12-20(13-15-21)18(3)4/h8,10,12-16,18,23H,6-7,9,11H2,1-5H3/b19-10+/t23-/m1/s1
InChIKeyBJVIHVBQYYYUPN-ALMVOQMYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one (CID 122662633) is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one is CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc(C(C)C)cc2)OC1=O.
What is the InChIKey of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one?
The InChIKey is BJVIHVBQYYYUPN-ALMVOQMYSA-N. The full InChI is InChI=1S/C24H32O2/c1-17(2)8-6-9-19(5)10-7-11-22-16-23(26-24(22)25)21-14-12-20(13-15-21)18(3)4/h8,10,12-16,18,23H,6-7,9,11H2,1-5H3/b19-10+/t23-/m1/s1.
What are the key properties of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one?
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one has a molecular weight of 352.52 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one is sourced from PubChem (CID 122662633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).