3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one

C20H30O4 — CID 14588991

IUPAC3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO
InChIInChI=1S/C20H30O4/c1-16(7-4-11-19-12-20(23)24-15-19)6-3-9-18(14-22)10-5-8-17(2)13-21/h7-9,12,21-22H,3-6,10-11,13-15H2,1-2H3/b16-7+,17-8-,18-9-
InChIKeyUVMQCFGEJNWYOG-NARCAAIFSA-N
MW334.46 g/mol
LogP3.61
Rot. Bonds11

About 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one

3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one (PubChem CID 14588991) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
PubChem CID14588991
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO
InChIInChI=1S/C20H30O4/c1-16(7-4-11-19-12-20(23)24-15-19)6-3-9-18(14-22)10-5-8-17(2)13-21/h7-9,12,21-22H,3-6,10-11,13-15H2,1-2H3/b16-7+,17-8-,18-9-
InChIKeyUVMQCFGEJNWYOG-NARCAAIFSA-N
XLogP3.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-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 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The IUPAC name of 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one (CID 14588991) is 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The canonical SMILES for 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one is C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO.
What is the InChIKey of 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
The InChIKey is UVMQCFGEJNWYOG-NARCAAIFSA-N. The full InChI is InChI=1S/C20H30O4/c1-16(7-4-11-19-12-20(23)24-15-19)6-3-9-18(14-22)10-5-8-17(2)13-21/h7-9,12,21-22H,3-6,10-11,13-15H2,1-2H3/b16-7+,17-8-,18-9-.
What are the key properties of 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one?
3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one has a molecular weight of 334.46 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,7Z,11Z)-13-hydroxy-8-(hydroxymethyl)-4,12-dimethyltrideca-3,7,11-trienyl]-2H-furan-5-one is sourced from PubChem (CID 14588991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).