7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid

C26H44O4 — CID 138204470

IUPAC7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CCC)CCCCCC(=O)O
InChIInChI=1S/C26H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h5-6,8-9,11-12,24H,3-4,7,10,13-23H2,1-2H3,(H,27,28)/b6-5-,9-8-,12-11-
InChIKeyLPJJPHTXUIOQFQ-AGRJPVHOSA-N
MW420.63 g/mol
LogP7.54
Rot. Bonds20

About 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid

7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid (PubChem CID 138204470) has the molecular formula C26H44O4 and a molecular weight of 420.63 g/mol. Its IUPAC name is 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid.

Molecular Properties

Compound Name7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid
PubChem CID138204470
Molecular FormulaC26H44O4
Molecular Weight420.63 g/mol
Exact Mass420.32
IUPAC Name7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CCC)CCCCCC(=O)O
InChIInChI=1S/C26H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h5-6,8-9,11-12,24H,3-4,7,10,13-23H2,1-2H3,(H,27,28)/b6-5-,9-8-,12-11-
InChIKeyLPJJPHTXUIOQFQ-AGRJPVHOSA-N
XLogP7.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid with MolForge

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Related Compounds

7-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxydecanoic acid
CID 138312809
13-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyhexadecanoic acid
CID 134720787
11-[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]oxytetradecanoic acid
CID 134785605
14-[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]oxyheptadecanoic acid
CID 134784615
13-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]oxyhexadecanoic acid
CID 134777500
(14Z,17Z,20Z,23Z)-9-[(Z)-tridec-9-enoyl]oxyhexacosa-14,17,20,23-tetraenoic acid
CID 138251229
(14Z,17Z,20Z,23Z)-9-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyhexacosa-14,17,20,23-tetraenoic acid
CID 138176558
15-[(13Z,16Z,19Z)-docosa-13,16,19-trienoyl]oxytetracosanoic acid
CID 134741611
8-[(13Z,16Z,19Z)-docosa-13,16,19-trienoyl]oxyheptadecanoic acid
CID 134762201
9-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxyicosanoic acid
CID 138268423
6-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxydocosanoic acid
CID 134736535
7-[(14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoyl]oxytridecanoic acid
CID 138222976

Frequently Asked Questions

What is the IUPAC name of 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid?
The IUPAC name of 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid (CID 138204470) is 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid.
What is the SMILES notation for 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid?
The canonical SMILES for 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid is CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CCC)CCCCCC(=O)O.
What is the InChIKey of 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid?
The InChIKey is LPJJPHTXUIOQFQ-AGRJPVHOSA-N. The full InChI is InChI=1S/C26H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-26(29)30-24(20-4-2)21-17-16-18-22-25(27)28/h5-6,8-9,11-12,24H,3-4,7,10,13-23H2,1-2H3,(H,27,28)/b6-5-,9-8-,12-11-.
What are the key properties of 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid?
7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid has a molecular weight of 420.63 g/mol, XLogP of 7.54, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxydecanoic acid is sourced from PubChem (CID 138204470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).