3-[(E)-hex-1-enyl]thiophene

C10H14S — CID 14399075

IUPAC3-[(E)-hex-1-enyl]thiophene
SMILESCCCC/C=C/c1ccsc1
InChIInChI=1S/C10H14S/c1-2-3-4-5-6-10-7-8-11-9-10/h5-9H,2-4H2,1H3/b6-5+
InChIKeyUVHRBOUZHFKRFG-AATRIKPKSA-N
MW166.29 g/mol
LogP3.95
Rot. Bonds4

About 3-[(E)-hex-1-enyl]thiophene

3-[(E)-hex-1-enyl]thiophene (PubChem CID 14399075) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-[(E)-hex-1-enyl]thiophene.

Molecular Properties

Compound Name3-[(E)-hex-1-enyl]thiophene
PubChem CID14399075
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-[(E)-hex-1-enyl]thiophene
SMILESCCCC/C=C/c1ccsc1
InChIInChI=1S/C10H14S/c1-2-3-4-5-6-10-7-8-11-9-10/h5-9H,2-4H2,1H3/b6-5+
InChIKeyUVHRBOUZHFKRFG-AATRIKPKSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(E)-hex-1-enyl]thiophene 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-[(E)-hex-1-enyl]thiophene?
The IUPAC name of 3-[(E)-hex-1-enyl]thiophene (CID 14399075) is 3-[(E)-hex-1-enyl]thiophene.
What is the SMILES notation for 3-[(E)-hex-1-enyl]thiophene?
The canonical SMILES for 3-[(E)-hex-1-enyl]thiophene is CCCC/C=C/c1ccsc1.
What is the InChIKey of 3-[(E)-hex-1-enyl]thiophene?
The InChIKey is UVHRBOUZHFKRFG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14S/c1-2-3-4-5-6-10-7-8-11-9-10/h5-9H,2-4H2,1H3/b6-5+.
What are the key properties of 3-[(E)-hex-1-enyl]thiophene?
3-[(E)-hex-1-enyl]thiophene has a molecular weight of 166.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-1-enyl]thiophene is sourced from PubChem (CID 14399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).