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

C23H30O2 — CID 122662641

IUPAC(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one
SMILESCCc1ccc([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)cc1
InChIInChI=1S/C23H30O2/c1-5-19-12-14-20(15-13-19)22-16-21(23(24)25-22)11-7-10-18(4)9-6-8-17(2)3/h8,10,12-16,22H,5-7,9,11H2,1-4H3/b18-10+/t22-/m1/s1
InChIKeyQJWAXXMFUWHVEF-HPBYZVIZSA-N
MW338.49 g/mol
LogP6.25
Rot. Bonds8

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

(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one (PubChem CID 122662641) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one
PubChem CID122662641
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one
SMILESCCc1ccc([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)cc1
InChIInChI=1S/C23H30O2/c1-5-19-12-14-20(15-13-19)22-16-21(23(24)25-22)11-7-10-18(4)9-6-8-17(2)3/h8,10,12-16,22H,5-7,9,11H2,1-4H3/b18-10+/t22-/m1/s1
InChIKeyQJWAXXMFUWHVEF-HPBYZVIZSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one (CID 122662641) is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one is CCc1ccc([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)cc1.
What is the InChIKey of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one?
The InChIKey is QJWAXXMFUWHVEF-HPBYZVIZSA-N. The full InChI is InChI=1S/C23H30O2/c1-5-19-12-14-20(15-13-19)22-16-21(23(24)25-22)11-7-10-18(4)9-6-8-17(2)3/h8,10,12-16,22H,5-7,9,11H2,1-4H3/b18-10+/t22-/m1/s1.
What are the key properties of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one?
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one has a molecular weight of 338.49 g/mol, XLogP of 6.25, 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-ethylphenyl)-2H-furan-5-one is sourced from PubChem (CID 122662641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).