2,5-ditert-butyl-4H-cyclopenta[b]thiophene

C15H22S — CID 90181150

IUPAC2,5-ditert-butyl-4H-cyclopenta[b]thiophene
SMILESCC(C)(C)C1=Cc2sc(C(C)(C)C)cc2C1
InChIInChI=1S/C15H22S/c1-14(2,3)11-7-10-8-13(15(4,5)6)16-12(10)9-11/h8-9H,7H2,1-6H3
InChIKeyONCNFRYEYVOEFR-UHFFFAOYSA-N
MW234.41 g/mol
LogP5.03
Rot. Bonds

About 2,5-ditert-butyl-4H-cyclopenta[b]thiophene

2,5-ditert-butyl-4H-cyclopenta[b]thiophene (PubChem CID 90181150) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is 2,5-ditert-butyl-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,5-ditert-butyl-4H-cyclopenta[b]thiophene
PubChem CID90181150
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name2,5-ditert-butyl-4H-cyclopenta[b]thiophene
SMILESCC(C)(C)C1=Cc2sc(C(C)(C)C)cc2C1
InChIInChI=1S/C15H22S/c1-14(2,3)11-7-10-8-13(15(4,5)6)16-12(10)9-11/h8-9H,7H2,1-6H3
InChIKeyONCNFRYEYVOEFR-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-4H-cyclopenta[b]thiophene?
The IUPAC name of 2,5-ditert-butyl-4H-cyclopenta[b]thiophene (CID 90181150) is 2,5-ditert-butyl-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,5-ditert-butyl-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2,5-ditert-butyl-4H-cyclopenta[b]thiophene is CC(C)(C)C1=Cc2sc(C(C)(C)C)cc2C1.
What is the InChIKey of 2,5-ditert-butyl-4H-cyclopenta[b]thiophene?
The InChIKey is ONCNFRYEYVOEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S/c1-14(2,3)11-7-10-8-13(15(4,5)6)16-12(10)9-11/h8-9H,7H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-4H-cyclopenta[b]thiophene?
2,5-ditert-butyl-4H-cyclopenta[b]thiophene has a molecular weight of 234.41 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 90181150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).