8,12-dimethylpentadeca-8,12,14-trienoic acid

C17H28O2 — CID 91146885

IUPAC8,12-dimethylpentadeca-8,12,14-trienoic acid
SMILESC=CC=C(C)CCC=C(C)CCCCCCC(=O)O
InChIInChI=1S/C17H28O2/c1-4-10-15(2)12-9-13-16(3)11-7-5-6-8-14-17(18)19/h4,10,13H,1,5-9,11-12,14H2,2-3H3,(H,18,19)
InChIKeyOWKQGVNJFCVNNH-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.27
Rot. Bonds11

About 8,12-dimethylpentadeca-8,12,14-trienoic acid

8,12-dimethylpentadeca-8,12,14-trienoic acid (PubChem CID 91146885) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 8,12-dimethylpentadeca-8,12,14-trienoic acid.

Molecular Properties

Compound Name8,12-dimethylpentadeca-8,12,14-trienoic acid
PubChem CID91146885
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name8,12-dimethylpentadeca-8,12,14-trienoic acid
SMILESC=CC=C(C)CCC=C(C)CCCCCCC(=O)O
InChIInChI=1S/C17H28O2/c1-4-10-15(2)12-9-13-16(3)11-7-5-6-8-14-17(18)19/h4,10,13H,1,5-9,11-12,14H2,2-3H3,(H,18,19)
InChIKeyOWKQGVNJFCVNNH-UHFFFAOYSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8,12-dimethylpentadeca-8,12,14-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

Related Compounds

(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
heptanoic acid;2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174641388
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
CID 173462610
4-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)butanoic acid
CID 91124399
buta-1,3-diene;decanedioic acid
CID 87614862
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2E)-3,7-dimethylocta-2,6-dien-1-ol;docosanoic acid
CID 175327394
(E)-5-methylhept-4-enoic acid
CID 83694352
4-methylnona-1,3-diene
CID 71327710
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785

Frequently Asked Questions

What is the IUPAC name of 8,12-dimethylpentadeca-8,12,14-trienoic acid?
The IUPAC name of 8,12-dimethylpentadeca-8,12,14-trienoic acid (CID 91146885) is 8,12-dimethylpentadeca-8,12,14-trienoic acid.
What is the SMILES notation for 8,12-dimethylpentadeca-8,12,14-trienoic acid?
The canonical SMILES for 8,12-dimethylpentadeca-8,12,14-trienoic acid is C=CC=C(C)CCC=C(C)CCCCCCC(=O)O.
What is the InChIKey of 8,12-dimethylpentadeca-8,12,14-trienoic acid?
The InChIKey is OWKQGVNJFCVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-10-15(2)12-9-13-16(3)11-7-5-6-8-14-17(18)19/h4,10,13H,1,5-9,11-12,14H2,2-3H3,(H,18,19).
What are the key properties of 8,12-dimethylpentadeca-8,12,14-trienoic acid?
8,12-dimethylpentadeca-8,12,14-trienoic acid has a molecular weight of 264.41 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethylpentadeca-8,12,14-trienoic acid is sourced from PubChem (CID 91146885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).