2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid

C24H38O4 — CID 23216777

IUPAC2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C24H38O4/c1-17(2)9-7-11-19(5)13-14-21(22(24(27)28)16-23(25)26)15-20(6)12-8-10-18(3)4/h9-10,13,15,21-22H,7-8,11-12,14,16H2,1-6H3,(H,25,26)(H,27,28)/b19-13+,20-15+
InChIKeyDXAHHFIMWONVFT-YLYRKCBPSA-N
MW390.56 g/mol
LogP6.55
Rot. Bonds13

About 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid

2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid (PubChem CID 23216777) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid.

Molecular Properties

Compound Name2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
PubChem CID23216777
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)C(CC(=O)O)C(=O)O
InChIInChI=1S/C24H38O4/c1-17(2)9-7-11-19(5)13-14-21(22(24(27)28)16-23(25)26)15-20(6)12-8-10-18(3)4/h9-10,13,15,21-22H,7-8,11-12,14,16H2,1-6H3,(H,25,26)(H,27,28)/b19-13+,20-15+
InChIKeyDXAHHFIMWONVFT-YLYRKCBPSA-N
XLogP6.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic 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

(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(5E)-6,10-dimethyl-3-sulfanylundeca-5,9-dienoic acid
CID 88700602
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
2-[(2E,6E)-3,7,11-trimethyl-1-(1-methylimidazol-2-yl)dodeca-2,6,10-trienyl]butanedioic acid
CID 46230735
3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
CID 57090053
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
CID 91303762
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369

Frequently Asked Questions

What is the IUPAC name of 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid?
The IUPAC name of 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid (CID 23216777) is 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid.
What is the SMILES notation for 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid?
The canonical SMILES for 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid is CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid?
The InChIKey is DXAHHFIMWONVFT-YLYRKCBPSA-N. The full InChI is InChI=1S/C24H38O4/c1-17(2)9-7-11-19(5)13-14-21(22(24(27)28)16-23(25)26)15-20(6)12-8-10-18(3)4/h9-10,13,15,21-22H,7-8,11-12,14,16H2,1-6H3,(H,25,26)(H,27,28)/b19-13+,20-15+.
What are the key properties of 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid?
2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid has a molecular weight of 390.56 g/mol, XLogP of 6.55, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid is sourced from PubChem (CID 23216777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).