3,4-dihexoxythiophene

C16H28O2S — CID 10731808

IUPAC3,4-dihexoxythiophene
SMILESCCCCCCOc1cscc1OCCCCCC
InChIInChI=1S/C16H28O2S/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyOMANTHZRUHGCNC-UHFFFAOYSA-N
MW284.46 g/mol
LogP5.67
Rot. Bonds12

About 3,4-dihexoxythiophene

3,4-dihexoxythiophene (PubChem CID 10731808) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 3,4-dihexoxythiophene.

Molecular Properties

Compound Name3,4-dihexoxythiophene
PubChem CID10731808
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name3,4-dihexoxythiophene
SMILESCCCCCCOc1cscc1OCCCCCC
InChIInChI=1S/C16H28O2S/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyOMANTHZRUHGCNC-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dihexoxythiophene 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 3,4-dihexoxythiophene?
The IUPAC name of 3,4-dihexoxythiophene (CID 10731808) is 3,4-dihexoxythiophene.
What is the SMILES notation for 3,4-dihexoxythiophene?
The canonical SMILES for 3,4-dihexoxythiophene is CCCCCCOc1cscc1OCCCCCC.
What is the InChIKey of 3,4-dihexoxythiophene?
The InChIKey is OMANTHZRUHGCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 3,4-dihexoxythiophene?
3,4-dihexoxythiophene has a molecular weight of 284.46 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihexoxythiophene is sourced from PubChem (CID 10731808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).