3,4-dicyclopentylthiophene

C14H20S — CID 21200052

IUPAC3,4-dicyclopentylthiophene
SMILESc1scc(C2CCCC2)c1C1CCCC1
InChIInChI=1S/C14H20S/c1-2-6-11(5-1)13-9-15-10-14(13)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyPNPCNJUBRWYHJV-UHFFFAOYSA-N
MW220.38 g/mol
LogP5.06
Rot. Bonds2

About 3,4-dicyclopentylthiophene

3,4-dicyclopentylthiophene (PubChem CID 21200052) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3,4-dicyclopentylthiophene.

Molecular Properties

Compound Name3,4-dicyclopentylthiophene
PubChem CID21200052
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name3,4-dicyclopentylthiophene
SMILESc1scc(C2CCCC2)c1C1CCCC1
InChIInChI=1S/C14H20S/c1-2-6-11(5-1)13-9-15-10-14(13)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyPNPCNJUBRWYHJV-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopentylthiophene?
The IUPAC name of 3,4-dicyclopentylthiophene (CID 21200052) is 3,4-dicyclopentylthiophene.
What is the SMILES notation for 3,4-dicyclopentylthiophene?
The canonical SMILES for 3,4-dicyclopentylthiophene is c1scc(C2CCCC2)c1C1CCCC1.
What is the InChIKey of 3,4-dicyclopentylthiophene?
The InChIKey is PNPCNJUBRWYHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-2-6-11(5-1)13-9-15-10-14(13)12-7-3-4-8-12/h9-12H,1-8H2.
What are the key properties of 3,4-dicyclopentylthiophene?
3,4-dicyclopentylthiophene has a molecular weight of 220.38 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopentylthiophene is sourced from PubChem (CID 21200052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).