4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one

C20H30O2 — CID 15515432

IUPAC4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCOC1=O
InChIInChI=1S/C20H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-14-15-22-20(19)21/h8,10,12,14H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12+
InChIKeyHVYUMVJJYINCJI-VZRGJMDUSA-N
MW302.46 g/mol
LogP5.67
Rot. Bonds9

About 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one

4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one (PubChem CID 15515432) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
PubChem CID15515432
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCOC1=O
InChIInChI=1S/C20H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-14-15-22-20(19)21/h8,10,12,14H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12+
InChIKeyHVYUMVJJYINCJI-VZRGJMDUSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.67
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 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The IUPAC name of 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one (CID 15515432) is 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one.
What is the SMILES notation for 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The canonical SMILES for 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCOC1=O.
What is the InChIKey of 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The InChIKey is HVYUMVJJYINCJI-VZRGJMDUSA-N. The full InChI is InChI=1S/C20H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-13-19-14-15-22-20(19)21/h8,10,12,14H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12+.
What are the key properties of 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one has a molecular weight of 302.46 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-5-one is sourced from PubChem (CID 15515432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).