2-but-2-enyl-4-cyclohexylthiophene

C14H20S — CID 70351983

IUPAC2-but-2-enyl-4-cyclohexylthiophene
SMILESCC=CCc1cc(C2CCCCC2)cs1
InChIInChI=1S/C14H20S/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h2-3,10-12H,4-9H2,1H3
InChIKeyABYQUXBPFUXVSK-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.91
Rot. Bonds3

About 2-but-2-enyl-4-cyclohexylthiophene

2-but-2-enyl-4-cyclohexylthiophene (PubChem CID 70351983) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-but-2-enyl-4-cyclohexylthiophene.

Molecular Properties

Compound Name2-but-2-enyl-4-cyclohexylthiophene
PubChem CID70351983
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name2-but-2-enyl-4-cyclohexylthiophene
SMILESCC=CCc1cc(C2CCCCC2)cs1
InChIInChI=1S/C14H20S/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h2-3,10-12H,4-9H2,1H3
InChIKeyABYQUXBPFUXVSK-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-2-enyl-4-cyclohexylthiophene 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-but-2-enyl-4-cyclohexylthiophene?
The IUPAC name of 2-but-2-enyl-4-cyclohexylthiophene (CID 70351983) is 2-but-2-enyl-4-cyclohexylthiophene.
What is the SMILES notation for 2-but-2-enyl-4-cyclohexylthiophene?
The canonical SMILES for 2-but-2-enyl-4-cyclohexylthiophene is CC=CCc1cc(C2CCCCC2)cs1.
What is the InChIKey of 2-but-2-enyl-4-cyclohexylthiophene?
The InChIKey is ABYQUXBPFUXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-but-2-enyl-4-cyclohexylthiophene?
2-but-2-enyl-4-cyclohexylthiophene has a molecular weight of 220.38 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-4-cyclohexylthiophene is sourced from PubChem (CID 70351983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).