15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid

C48H90O4 — CID 134725515

IUPAC15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C48H90O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-41-45-48(51)52-46(42-38-34-30-10-8-6-4-2)43-39-35-31-27-24-23-25-28-32-36-40-44-47(49)50/h11-12,14-15,46H,3-10,13,16-45H2,1-2H3,(H,49,50)/b12-11-,15-14-
InChIKeyCWUIYVUHXPNWBU-HDXUUTQWSA-N
MW731.24 g/mol
LogP16.35
Rot. Bonds43

About 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid

15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid (PubChem CID 134725515) has the molecular formula C48H90O4 and a molecular weight of 731.24 g/mol. Its IUPAC name is 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid.

Molecular Properties

Compound Name15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid
PubChem CID134725515
Molecular FormulaC48H90O4
Molecular Weight731.24 g/mol
Exact Mass730.68
IUPAC Name15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C48H90O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-41-45-48(51)52-46(42-38-34-30-10-8-6-4-2)43-39-35-31-27-24-23-25-28-32-36-40-44-47(49)50/h11-12,14-15,46H,3-10,13,16-45H2,1-2H3,(H,49,50)/b12-11-,15-14-
InChIKeyCWUIYVUHXPNWBU-HDXUUTQWSA-N
XLogP16.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds43
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.24
LogP ≤ 516.35
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'}

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Related Compounds

9-[(13Z,16Z)-tetracosa-13,16-dienoyl]oxyheptacosanoic acid
CID 138167320
9-[(13Z,16Z)-docosa-13,16-dienoyl]oxynonadecanoic acid
CID 138222259
7-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytetracosanoic acid
CID 134720756
17-[(11Z,14Z)-icosa-11,14-dienoyl]oxytetracosanoic acid
CID 134733306
9-[(11Z,14Z)-henicosa-11,14-dienoyl]oxypentacosanoic acid
CID 138184357
6-[(13Z,16Z)-docosa-13,16-dienoyl]oxydocosanoic acid
CID 134735319
17-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]oxydocosanoic acid
CID 134755464
15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxyicosanoic acid
CID 134780813
8-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxyhexadecanoic acid
CID 138238916
8-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypentadecanoic acid
CID 134736256
10-[(9Z,15Z,18Z)-tetracosa-9,15,18-trienoyl]oxytetracosanoic acid
CID 134766345
7-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxydocosanoic acid
CID 134775486

Frequently Asked Questions

What is the IUPAC name of 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid?
The IUPAC name of 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid (CID 134725515) is 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid.
What is the SMILES notation for 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid?
The canonical SMILES for 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid is CCCCC/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid?
The InChIKey is CWUIYVUHXPNWBU-HDXUUTQWSA-N. The full InChI is InChI=1S/C48H90O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-41-45-48(51)52-46(42-38-34-30-10-8-6-4-2)43-39-35-31-27-24-23-25-28-32-36-40-44-47(49)50/h11-12,14-15,46H,3-10,13,16-45H2,1-2H3,(H,49,50)/b12-11-,15-14-.
What are the key properties of 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid?
15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid has a molecular weight of 731.24 g/mol, XLogP of 16.35, 43 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(15Z,18Z)-tetracosa-15,18-dienoyl]oxytetracosanoic acid is sourced from PubChem (CID 134725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).