undec-10-enyl thiophene-2-carboxylate

C16H24O2S — CID 573726

IUPACundec-10-enyl thiophene-2-carboxylate
SMILESC=CCCCCCCCCCOC(=O)c1cccs1
InChIInChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16(17)15-12-11-14-19-15/h2,11-12,14H,1,3-10,13H2
InChIKeyVNHZJVROXKZPHA-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.21
Rot. Bonds11

About undec-10-enyl thiophene-2-carboxylate

undec-10-enyl thiophene-2-carboxylate (PubChem CID 573726) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is undec-10-enyl thiophene-2-carboxylate.

Molecular Properties

Compound Nameundec-10-enyl thiophene-2-carboxylate
PubChem CID573726
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Nameundec-10-enyl thiophene-2-carboxylate
SMILESC=CCCCCCCCCCOC(=O)c1cccs1
InChIInChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16(17)15-12-11-14-19-15/h2,11-12,14H,1,3-10,13H2
InChIKeyVNHZJVROXKZPHA-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
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 undec-10-enyl thiophene-2-carboxylate 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 undec-10-enyl thiophene-2-carboxylate?
The IUPAC name of undec-10-enyl thiophene-2-carboxylate (CID 573726) is undec-10-enyl thiophene-2-carboxylate.
What is the SMILES notation for undec-10-enyl thiophene-2-carboxylate?
The canonical SMILES for undec-10-enyl thiophene-2-carboxylate is C=CCCCCCCCCCOC(=O)c1cccs1.
What is the InChIKey of undec-10-enyl thiophene-2-carboxylate?
The InChIKey is VNHZJVROXKZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16(17)15-12-11-14-19-15/h2,11-12,14H,1,3-10,13H2.
What are the key properties of undec-10-enyl thiophene-2-carboxylate?
undec-10-enyl thiophene-2-carboxylate has a molecular weight of 280.43 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl thiophene-2-carboxylate is sourced from PubChem (CID 573726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).