(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid

C25H40O2 — CID 146174364

IUPAC(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid
SMILESCCCCCC(C)/C=C/C=C\C/C=C\C=C\C=C\C(C)C(C)CCC(=O)O
InChIInChI=1S/C25H40O2/c1-5-6-14-17-22(2)18-15-12-10-8-7-9-11-13-16-19-23(3)24(4)20-21-25(26)27/h7,9-13,15-16,18-19,22-24H,5-6,8,14,17,20-21H2,1-4H3,(H,26,27)/b9-7-,12-10-,13-11+,18-15+,19-16+
InChIKeyLNNCNUFIHIFXKW-FXSAIYNLSA-N
MW372.59 g/mol
LogP7.51
Rot. Bonds15

About (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid

(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid (PubChem CID 146174364) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid.

Molecular Properties

Compound Name(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid
PubChem CID146174364
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid
SMILESCCCCCC(C)/C=C/C=C\C/C=C\C=C\C=C\C(C)C(C)CCC(=O)O
InChIInChI=1S/C25H40O2/c1-5-6-14-17-22(2)18-15-12-10-8-7-9-11-13-16-19-23(3)24(4)20-21-25(26)27/h7,9-13,15-16,18-19,22-24H,5-6,8,14,17,20-21H2,1-4H3,(H,26,27)/b9-7-,12-10-,13-11+,18-15+,19-16+
InChIKeyLNNCNUFIHIFXKW-FXSAIYNLSA-N
XLogP7.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid with MolForge

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Related Compounds

(8E,10Z,13Z)-7,16,17-trimethyldocosa-8,10,13-trienoic acid
CID 146174374
(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
CID 90059451
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
6-methyltetracos-4-enoic acid
CID 173102051
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
9-methylnonadec-10-enoic acid
CID 57288184
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
17-ethyldocosa-7,10,13,15-tetraenoic acid
CID 91457057
(5S,6R,7Z,9E,11E,14E)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
CID 125183443
(7E,9Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
CID 118355139

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid?
The IUPAC name of (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid (CID 146174364) is (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid.
What is the SMILES notation for (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid?
The canonical SMILES for (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid is CCCCCC(C)/C=C/C=C\C/C=C\C=C\C=C\C(C)C(C)CCC(=O)O.
What is the InChIKey of (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid?
The InChIKey is LNNCNUFIHIFXKW-FXSAIYNLSA-N. The full InChI is InChI=1S/C25H40O2/c1-5-6-14-17-22(2)18-15-12-10-8-7-9-11-13-16-19-23(3)24(4)20-21-25(26)27/h7,9-13,15-16,18-19,22-24H,5-6,8,14,17,20-21H2,1-4H3,(H,26,27)/b9-7-,12-10-,13-11+,18-15+,19-16+.
What are the key properties of (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid?
(6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid has a molecular weight of 372.59 g/mol, XLogP of 7.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10Z,13Z,15E)-4,5,17-trimethyldocosa-6,8,10,13,15-pentaenoic acid is sourced from PubChem (CID 146174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).