16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid

C33H62O4 — CID 134775725

IUPAC16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid
SMILESCCCC/C=C\CCCCCCCCC(=O)OC(CC)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C33H62O4/c1-3-5-6-7-8-9-10-15-18-21-24-27-30-33(36)37-31(4-2)28-25-22-19-16-13-11-12-14-17-20-23-26-29-32(34)35/h7-8,31H,3-6,9-30H2,1-2H3,(H,34,35)/b8-7-
InChIKeyWGKFUYGTGLPYPI-FPLPWBNLSA-N
MW522.86 g/mol
LogP10.72
Rot. Bonds29

About 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid

16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid (PubChem CID 134775725) has the molecular formula C33H62O4 and a molecular weight of 522.86 g/mol. Its IUPAC name is 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid.

Molecular Properties

Compound Name16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid
PubChem CID134775725
Molecular FormulaC33H62O4
Molecular Weight522.86 g/mol
Exact Mass522.46
IUPAC Name16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid
SMILESCCCC/C=C\CCCCCCCCC(=O)OC(CC)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C33H62O4/c1-3-5-6-7-8-9-10-15-18-21-24-27-30-33(36)37-31(4-2)28-25-22-19-16-13-11-12-14-17-20-23-26-29-32(34)35/h7-8,31H,3-6,9-30H2,1-2H3,(H,34,35)/b8-7-
InChIKeyWGKFUYGTGLPYPI-FPLPWBNLSA-N
XLogP10.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.86
LogP ≤ 510.72
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

5-[(Z)-tetradec-9-enoyl]oxyheptanoic acid
CID 138129243
18-[(Z)-hexadec-9-enoyl]oxyicosanoic acid
CID 134765926
20-[(Z)-tetracos-15-enoyl]oxydocosanoic acid
CID 134739895
5-[(Z)-tetracos-13-enoyl]oxyheptanoic acid
CID 138170609
12-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytetradecanoic acid
CID 134740628
14-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxyhexadecanoic acid
CID 134753326
14-[(13Z,16Z)-docosa-13,16-dienoyl]oxyhexadecanoic acid
CID 134780593
14-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]oxyhexadecanoic acid
CID 134723364
16-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]oxyoctadecanoic acid
CID 134738229
10-[(Z)-tetradec-9-enoyl]oxytetracosanoic acid
CID 134744091
11-[(Z)-tetradec-9-enoyl]oxyheptadecanoic acid
CID 134786018
7-[(Z)-pentadec-10-enoyl]oxydocosanoic acid
CID 134770676

Frequently Asked Questions

What is the IUPAC name of 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid?
The IUPAC name of 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid (CID 134775725) is 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid.
What is the SMILES notation for 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid?
The canonical SMILES for 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid is CCCC/C=C\CCCCCCCCC(=O)OC(CC)CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid?
The InChIKey is WGKFUYGTGLPYPI-FPLPWBNLSA-N. The full InChI is InChI=1S/C33H62O4/c1-3-5-6-7-8-9-10-15-18-21-24-27-30-33(36)37-31(4-2)28-25-22-19-16-13-11-12-14-17-20-23-26-29-32(34)35/h7-8,31H,3-6,9-30H2,1-2H3,(H,34,35)/b8-7-.
What are the key properties of 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid?
16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid has a molecular weight of 522.86 g/mol, XLogP of 10.72, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[(Z)-pentadec-10-enoyl]oxyoctadecanoic acid is sourced from PubChem (CID 134775725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).