3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one

C35H67NO2 — CID 70290548

IUPAC3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCC)N1CCOC1=O
InChIInChI=1S/C35H67NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34(36-32-33-38-35(36)37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34H,3-16,19-33H2,1-2H3/b18-17-
InChIKeyRQKGIRWEECYKCV-ZCXUNETKSA-N
MW533.93 g/mol
LogP11.94
Rot. Bonds29

About 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one

3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one (PubChem CID 70290548) has the molecular formula C35H67NO2 and a molecular weight of 533.93 g/mol. Its IUPAC name is 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one
PubChem CID70290548
Molecular FormulaC35H67NO2
Molecular Weight533.93 g/mol
Exact Mass533.52
IUPAC Name3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCC)N1CCOC1=O
InChIInChI=1S/C35H67NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34(36-32-33-38-35(36)37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34H,3-16,19-33H2,1-2H3/b18-17-
InChIKeyRQKGIRWEECYKCV-ZCXUNETKSA-N
XLogP11.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.93
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one (CID 70290548) is 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one is CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCC)N1CCOC1=O.
What is the InChIKey of 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one?
The InChIKey is RQKGIRWEECYKCV-ZCXUNETKSA-N. The full InChI is InChI=1S/C35H67NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34(36-32-33-38-35(36)37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,34H,3-16,19-33H2,1-2H3/b18-17-.
What are the key properties of 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one?
3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one has a molecular weight of 533.93 g/mol, XLogP of 11.94, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70290548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).