15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid

C34H64O4 — CID 171117672

IUPAC15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)OCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34(37)38-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33(35)36/h9-10H,2-8,11-32H2,1H3,(H,35,36)/b10-9-
InChIKeyIAEFGMRPYWDKEQ-KTKRTIGZSA-N
MW536.88 g/mol
LogP11.11
Rot. Bonds31

About 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid

15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid (PubChem CID 171117672) has the molecular formula C34H64O4 and a molecular weight of 536.88 g/mol. Its IUPAC name is 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid.

Molecular Properties

Compound Name15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid
PubChem CID171117672
Molecular FormulaC34H64O4
Molecular Weight536.88 g/mol
Exact Mass536.48
IUPAC Name15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)OCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34(37)38-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33(35)36/h9-10H,2-8,11-32H2,1H3,(H,35,36)/b10-9-
InChIKeyIAEFGMRPYWDKEQ-KTKRTIGZSA-N
XLogP11.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.88
LogP ≤ 511.11
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

17-docos-13-enoyloxyheptadecanoic acid
CID 166098020
27-tetracos-15-enoyloxyheptacosanoic acid
CID 166098088
27-octadec-9-enoyloxyheptacosanoic acid
CID 54307945
12-icos-13-enoyloxydodecanoic acid
CID 166098152
10-octadec-9-enoxy-10-oxodecanoic acid
CID 162351314
33-icos-13-enoyloxytritriacontanoic acid
CID 166098133
dioctyl dodecanedioate;bis((Z)-octadec-9-enoic acid)
CID 157244345
30-icos-13-enoyloxytriacontanoic acid
CID 166098023
(Z)-octadec-9-enoic acid;[(Z)-octadec-9-enyl] octadecanoate
CID 88508616
38-icos-13-enoyloxyoctatriacontanoic acid
CID 166097610
28-icos-13-enoyloxyoctacosanoic acid
CID 166098257
19-icos-11-enoyloxynonadecanoic acid
CID 170564328

Frequently Asked Questions

What is the IUPAC name of 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid?
The IUPAC name of 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid (CID 171117672) is 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid.
What is the SMILES notation for 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid?
The canonical SMILES for 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid is CCCCCCCC/C=C\CCCCCCCCC(=O)OCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid?
The InChIKey is IAEFGMRPYWDKEQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C34H64O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34(37)38-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33(35)36/h9-10H,2-8,11-32H2,1H3,(H,35,36)/b10-9-.
What are the key properties of 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid?
15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid has a molecular weight of 536.88 g/mol, XLogP of 11.11, 31 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(Z)-nonadec-10-enoyl]oxypentadecanoic acid is sourced from PubChem (CID 171117672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).