3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid

C30H56O4 — CID 171117603

IUPAC3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)OC(CCCCCCCC)CC(=O)O
InChIInChI=1S/C30H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-30(33)34-28(27-29(31)32)25-23-21-10-8-6-4-2/h14-15,28H,3-13,16-27H2,1-2H3,(H,31,32)/b15-14-
InChIKeyFJYTWTXDRLWMOG-PFONDFGASA-N
MW480.77 g/mol
LogP9.55
Rot. Bonds26

About 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid

3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid (PubChem CID 171117603) has the molecular formula C30H56O4 and a molecular weight of 480.77 g/mol. Its IUPAC name is 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid.

Molecular Properties

Compound Name3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid
PubChem CID171117603
Molecular FormulaC30H56O4
Molecular Weight480.77 g/mol
Exact Mass480.42
IUPAC Name3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCC(=O)OC(CCCCCCCC)CC(=O)O
InChIInChI=1S/C30H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-30(33)34-28(27-29(31)32)25-23-21-10-8-6-4-2/h14-15,28H,3-13,16-27H2,1-2H3,(H,31,32)/b15-14-
InChIKeyFJYTWTXDRLWMOG-PFONDFGASA-N
XLogP9.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 59.55
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 3-[(Z)-nonadec-10-enoyl]oxyundecanoic 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

3-[(Z)-docos-13-enoyl]oxydodecanoic acid
CID 171117432
3-[(Z)-icos-11-enoyl]oxyhexadecanoic acid
CID 134760037
3-[(Z)-heptadec-10-enoyl]oxydocosanoic acid
CID 134775732
3-[(Z)-pentadec-9-enoyl]oxyundecanoic acid
CID 171117594
3-[(Z)-tetradec-7-enoyl]oxydodecanoic acid
CID 171120171
3-[(Z)-nonadec-10-enoyl]oxytridecanoic acid
CID 171117562
(Z)-3-decanoyloxyhexadec-9-enoic acid
CID 171120163
3-[(Z)-hexadec-9-enoyl]oxyoctanoic acid
CID 171117495
3-[(Z)-hexadec-9-enoyl]oxytridecanoic acid
CID 171117555
3-[(Z)-tetradec-9-enoyl]oxydodecanoic acid
CID 171117413
3-[(Z)-dodec-5-enoyl]oxyoctanoic acid
CID 171120168
(3R)-3-dodec-5-enoyloxydecanoic acid
CID 71351193

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid?
The IUPAC name of 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid (CID 171117603) is 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid.
What is the SMILES notation for 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid?
The canonical SMILES for 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid is CCCCCCCC/C=C\CCCCCCCCC(=O)OC(CCCCCCCC)CC(=O)O.
What is the InChIKey of 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid?
The InChIKey is FJYTWTXDRLWMOG-PFONDFGASA-N. The full InChI is InChI=1S/C30H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-30(33)34-28(27-29(31)32)25-23-21-10-8-6-4-2/h14-15,28H,3-13,16-27H2,1-2H3,(H,31,32)/b15-14-.
What are the key properties of 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid?
3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid has a molecular weight of 480.77 g/mol, XLogP of 9.55, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid is sourced from PubChem (CID 171117603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).