6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid

C48H92O4 — CID 134762750

IUPAC6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCCCC)CCCCC(=O)O
InChIInChI=1S/C48H92O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-45-48(51)52-46(43-40-41-44-47(49)50)42-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h17,19,46H,3-16,18,20-45H2,1-2H3,(H,49,50)/b19-17-
InChIKeyQYHHGZDSKMXTDQ-ZPHPHTNESA-N
MW733.26 g/mol
LogP16.57
Rot. Bonds44

About 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid

6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid (PubChem CID 134762750) has the molecular formula C48H92O4 and a molecular weight of 733.26 g/mol. Its IUPAC name is 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid.

Molecular Properties

Compound Name6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid
PubChem CID134762750
Molecular FormulaC48H92O4
Molecular Weight733.26 g/mol
Exact Mass732.70
IUPAC Name6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCCCC)CCCCC(=O)O
InChIInChI=1S/C48H92O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-45-48(51)52-46(43-40-41-44-47(49)50)42-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h17,19,46H,3-16,18,20-45H2,1-2H3,(H,49,50)/b19-17-
InChIKeyQYHHGZDSKMXTDQ-ZPHPHTNESA-N
XLogP16.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds44
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.26
LogP ≤ 516.57
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 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic 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

(Z)-9-heptadecanoyloxyhexacos-15-enoic acid
CID 138158627
6-[(Z)-tetracos-15-enoyl]oxydocosanoic acid
CID 134730265
14-[(Z)-docos-13-enoyl]oxytetracosanoic acid
CID 134726345
12-[(Z)-tetracos-15-enoyl]oxydocosanoic acid
CID 134743453
9-[(Z)-octadec-9-enoyl]oxydocosanoic acid
CID 134764498
7-[(Z)-heptadec-9-enoyl]oxytridecanoic acid
CID 138142268
9-[(Z)-hexadec-9-enoyl]oxydocosanoic acid
CID 134731283
13-[(Z)-heptadec-10-enoyl]oxytetracosanoic acid
CID 134749410
12-[(Z)-heptadec-10-enoyl]oxyoctadecanoic acid
CID 134770292
17-[(Z)-octadec-9-enoyl]oxytetracosanoic acid
CID 134759185
10-[(Z)-docos-13-enoyl]oxytetracosanoic acid
CID 134732553
6-[(Z)-hexadec-9-enoyl]oxytetracosanoic acid
CID 134743447

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid?
The IUPAC name of 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid (CID 134762750) is 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid.
What is the SMILES notation for 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid?
The canonical SMILES for 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid is CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCCCC)CCCCC(=O)O.
What is the InChIKey of 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid?
The InChIKey is QYHHGZDSKMXTDQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C48H92O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-45-48(51)52-46(43-40-41-44-47(49)50)42-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h17,19,46H,3-16,18,20-45H2,1-2H3,(H,49,50)/b19-17-.
What are the key properties of 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid?
6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid has a molecular weight of 733.26 g/mol, XLogP of 16.57, 44 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-tetracos-15-enoyl]oxytetracosanoic acid is sourced from PubChem (CID 134762750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).