3,4-dipentoxythiophene

C14H24O2S — CID 23049601

IUPAC3,4-dipentoxythiophene
SMILESCCCCCOc1cscc1OCCCCC
InChIInChI=1S/C14H24O2S/c1-3-5-7-9-15-13-11-17-12-14(13)16-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVEURLWNWUPRJET-UHFFFAOYSA-N
MW256.41 g/mol
LogP4.89
Rot. Bonds10

About 3,4-dipentoxythiophene

3,4-dipentoxythiophene (PubChem CID 23049601) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 3,4-dipentoxythiophene.

Molecular Properties

Compound Name3,4-dipentoxythiophene
PubChem CID23049601
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name3,4-dipentoxythiophene
SMILESCCCCCOc1cscc1OCCCCC
InChIInChI=1S/C14H24O2S/c1-3-5-7-9-15-13-11-17-12-14(13)16-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVEURLWNWUPRJET-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipentoxythiophene?
The IUPAC name of 3,4-dipentoxythiophene (CID 23049601) is 3,4-dipentoxythiophene.
What is the SMILES notation for 3,4-dipentoxythiophene?
The canonical SMILES for 3,4-dipentoxythiophene is CCCCCOc1cscc1OCCCCC.
What is the InChIKey of 3,4-dipentoxythiophene?
The InChIKey is VEURLWNWUPRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-3-5-7-9-15-13-11-17-12-14(13)16-10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,4-dipentoxythiophene?
3,4-dipentoxythiophene has a molecular weight of 256.41 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipentoxythiophene is sourced from PubChem (CID 23049601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).