(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid

C17H28O2 — CID 6505860

IUPAC(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)O
InChIInChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
InChIKeyVOKDWPMRYSKGTB-NCZFFCEISA-N
MW264.41 g/mol
LogP5.27
Rot. Bonds9

About (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid (PubChem CID 6505860) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid.

Molecular Properties

Compound Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
PubChem CID6505860
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)O
InChIInChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
InChIKeyVOKDWPMRYSKGTB-NCZFFCEISA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid 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 (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid?
The IUPAC name of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid (CID 6505860) is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid.
What is the SMILES notation for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid?
The canonical SMILES for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)O.
What is the InChIKey of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid?
The InChIKey is VOKDWPMRYSKGTB-NCZFFCEISA-N. The full InChI is InChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+.
What are the key properties of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid?
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid has a molecular weight of 264.41 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid is sourced from PubChem (CID 6505860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).