2-undeca-1,3-diynylthiophene

C15H18S — CID 71378359

IUPAC2-undeca-1,3-diynylthiophene
SMILESCCCCCCCC#CC#Cc1cccs1
InChIInChI=1S/C15H18S/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,13-14H,2-7H2,1H3
InChIKeyFLZMVFRQJMVOPB-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.46
Rot. Bonds5

About 2-undeca-1,3-diynylthiophene

2-undeca-1,3-diynylthiophene (PubChem CID 71378359) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-undeca-1,3-diynylthiophene.

Molecular Properties

Compound Name2-undeca-1,3-diynylthiophene
PubChem CID71378359
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2-undeca-1,3-diynylthiophene
SMILESCCCCCCCC#CC#Cc1cccs1
InChIInChI=1S/C15H18S/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,13-14H,2-7H2,1H3
InChIKeyFLZMVFRQJMVOPB-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-undeca-1,3-diynylthiophene 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 2-undeca-1,3-diynylthiophene?
The IUPAC name of 2-undeca-1,3-diynylthiophene (CID 71378359) is 2-undeca-1,3-diynylthiophene.
What is the SMILES notation for 2-undeca-1,3-diynylthiophene?
The canonical SMILES for 2-undeca-1,3-diynylthiophene is CCCCCCCC#CC#Cc1cccs1.
What is the InChIKey of 2-undeca-1,3-diynylthiophene?
The InChIKey is FLZMVFRQJMVOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h11,13-14H,2-7H2,1H3.
What are the key properties of 2-undeca-1,3-diynylthiophene?
2-undeca-1,3-diynylthiophene has a molecular weight of 230.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undeca-1,3-diynylthiophene is sourced from PubChem (CID 71378359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).