2,4-dipropyl-6aH-cyclopenta[b]thiophene

C13H18S — CID 90946063

IUPAC2,4-dipropyl-6aH-cyclopenta[b]thiophene
SMILESCCCC1=CC2=C(CCC)C=CC2S1
InChIInChI=1S/C13H18S/c1-3-5-10-7-8-13-12(10)9-11(14-13)6-4-2/h7-9,13H,3-6H2,1-2H3
InChIKeyYMZRIETUNXFXCN-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.45
Rot. Bonds4

About 2,4-dipropyl-6aH-cyclopenta[b]thiophene

2,4-dipropyl-6aH-cyclopenta[b]thiophene (PubChem CID 90946063) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2,4-dipropyl-6aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,4-dipropyl-6aH-cyclopenta[b]thiophene
PubChem CID90946063
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name2,4-dipropyl-6aH-cyclopenta[b]thiophene
SMILESCCCC1=CC2=C(CCC)C=CC2S1
InChIInChI=1S/C13H18S/c1-3-5-10-7-8-13-12(10)9-11(14-13)6-4-2/h7-9,13H,3-6H2,1-2H3
InChIKeyYMZRIETUNXFXCN-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dipropyl-6aH-cyclopenta[b]thiophene?
The IUPAC name of 2,4-dipropyl-6aH-cyclopenta[b]thiophene (CID 90946063) is 2,4-dipropyl-6aH-cyclopenta[b]thiophene.
What is the SMILES notation for 2,4-dipropyl-6aH-cyclopenta[b]thiophene?
The canonical SMILES for 2,4-dipropyl-6aH-cyclopenta[b]thiophene is CCCC1=CC2=C(CCC)C=CC2S1.
What is the InChIKey of 2,4-dipropyl-6aH-cyclopenta[b]thiophene?
The InChIKey is YMZRIETUNXFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-3-5-10-7-8-13-12(10)9-11(14-13)6-4-2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2,4-dipropyl-6aH-cyclopenta[b]thiophene?
2,4-dipropyl-6aH-cyclopenta[b]thiophene has a molecular weight of 206.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipropyl-6aH-cyclopenta[b]thiophene is sourced from PubChem (CID 90946063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).