2,5-dipropoxythiophene

C10H16O2S — CID 18915039

IUPAC2,5-dipropoxythiophene
SMILESCCCOc1ccc(OCCC)s1
InChIInChI=1S/C10H16O2S/c1-3-7-11-9-5-6-10(13-9)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRMIZAVYLNILOBA-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.33
Rot. Bonds6

About 2,5-dipropoxythiophene

2,5-dipropoxythiophene (PubChem CID 18915039) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2,5-dipropoxythiophene.

Molecular Properties

Compound Name2,5-dipropoxythiophene
PubChem CID18915039
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2,5-dipropoxythiophene
SMILESCCCOc1ccc(OCCC)s1
InChIInChI=1S/C10H16O2S/c1-3-7-11-9-5-6-10(13-9)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRMIZAVYLNILOBA-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118651531

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropoxythiophene?
The IUPAC name of 2,5-dipropoxythiophene (CID 18915039) is 2,5-dipropoxythiophene.
What is the SMILES notation for 2,5-dipropoxythiophene?
The canonical SMILES for 2,5-dipropoxythiophene is CCCOc1ccc(OCCC)s1.
What is the InChIKey of 2,5-dipropoxythiophene?
The InChIKey is RMIZAVYLNILOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-3-7-11-9-5-6-10(13-9)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2,5-dipropoxythiophene?
2,5-dipropoxythiophene has a molecular weight of 200.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropoxythiophene is sourced from PubChem (CID 18915039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).