(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid

C22H36O2 — CID 6476245

IUPAC(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C\CC(C/C=C(/C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C22H36O2/c1-17(2)9-7-11-19(5)13-15-21(22(23)24)16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3,(H,23,24)/b19-13-,20-14-
InChIKeyDWUIZBOHHNUGHY-AXPXABNXSA-N
MW332.53 g/mol
LogP6.85
Rot. Bonds11

About (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid

(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 6476245) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID6476245
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C\CC(C/C=C(/C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C22H36O2/c1-17(2)9-7-11-19(5)13-15-21(22(23)24)16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3,(H,23,24)/b19-13-,20-14-
InChIKeyDWUIZBOHHNUGHY-AXPXABNXSA-N
XLogP6.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic 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

5,9,13-trimethyl-2-(phosphonomethyl)tetradeca-4,8,12-trienoic acid
CID 54543904
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
CID 91303762
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
CID 23216777
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(5E)-6,10-dimethyl-3-sulfanylundeca-5,9-dienoic acid
CID 88700602
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
CID 123703093
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid (CID 6476245) is (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCC/C(C)=C\CC(C/C=C(/C)CCC=C(C)C)C(=O)O.
What is the InChIKey of (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is DWUIZBOHHNUGHY-AXPXABNXSA-N. The full InChI is InChI=1S/C22H36O2/c1-17(2)9-7-11-19(5)13-15-21(22(23)24)16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3,(H,23,24)/b19-13-,20-14-.
What are the key properties of (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid?
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 332.53 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 6476245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).