5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid

C24H34O4 — CID 15067617

IUPAC5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
SMILESCCCCCCC(/C=C/C=C/c1ccccc1CCCCC(=O)O)OC(C)=O
InChIInChI=1S/C24H34O4/c1-3-4-5-6-17-23(28-20(2)25)18-11-9-15-21-13-7-8-14-22(21)16-10-12-19-24(26)27/h7-9,11,13-15,18,23H,3-6,10,12,16-17,19H2,1-2H3,(H,26,27)/b15-9+,18-11+
InChIKeySYARZTKFROOZSC-KIYPEOPRSA-N
MW386.53 g/mol
LogP5.96
Rot. Bonds14

About 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid

5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid (PubChem CID 15067617) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
PubChem CID15067617
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
SMILESCCCCCCC(/C=C/C=C/c1ccccc1CCCCC(=O)O)OC(C)=O
InChIInChI=1S/C24H34O4/c1-3-4-5-6-17-23(28-20(2)25)18-11-9-15-21-13-7-8-14-22(21)16-10-12-19-24(26)27/h7-9,11,13-15,18,23H,3-6,10,12,16-17,19H2,1-2H3,(H,26,27)/b15-9+,18-11+
InChIKeySYARZTKFROOZSC-KIYPEOPRSA-N
XLogP5.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl acetate
CID 54382124
[(1E,3E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15925212
5-hydroxy-5-[2-(5-methoxytrideca-1,3-dienyl)phenyl]pentanoic acid
CID 54379089
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
CID 54544645
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
2-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenoxy]ethyl acetate
CID 19799760
(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol
CID 19773790
10-[2-(9-carboxynonyl)-3-pentylphenyl]decanoic acid
CID 152622243
10-[2-(9-carboxynonyl)-3-heptylphenyl]decanoic acid
CID 151550347
[(E)-dec-2-en-4-yl] acetate
CID 13351016
ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
CID 142405628

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid?
The IUPAC name of 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid (CID 15067617) is 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid.
What is the SMILES notation for 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid?
The canonical SMILES for 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid is CCCCCCC(/C=C/C=C/c1ccccc1CCCCC(=O)O)OC(C)=O.
What is the InChIKey of 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid?
The InChIKey is SYARZTKFROOZSC-KIYPEOPRSA-N. The full InChI is InChI=1S/C24H34O4/c1-3-4-5-6-17-23(28-20(2)25)18-11-9-15-21-13-7-8-14-22(21)16-10-12-19-24(26)27/h7-9,11,13-15,18,23H,3-6,10,12,16-17,19H2,1-2H3,(H,26,27)/b15-9+,18-11+.
What are the key properties of 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid?
5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid has a molecular weight of 386.53 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid is sourced from PubChem (CID 15067617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).