4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene

C15H24S — CID 176611134

IUPAC4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
SMILESCC(C)(C)C1(C(C)(C)C)CCc2sccc21
InChIInChI=1S/C15H24S/c1-13(2,3)15(14(4,5)6)9-7-12-11(15)8-10-16-12/h8,10H,7,9H2,1-6H3
InChIKeyNWSLSQZDUQFPIF-UHFFFAOYSA-N
MW236.42 g/mol
LogP5.02
Rot. Bonds

About 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene

4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene (PubChem CID 176611134) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
PubChem CID176611134
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
SMILESCC(C)(C)C1(C(C)(C)C)CCc2sccc21
InChIInChI=1S/C15H24S/c1-13(2,3)15(14(4,5)6)9-7-12-11(15)8-10-16-12/h8,10H,7,9H2,1-6H3
InChIKeyNWSLSQZDUQFPIF-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene?
The IUPAC name of 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene (CID 176611134) is 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene?
The canonical SMILES for 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene is CC(C)(C)C1(C(C)(C)C)CCc2sccc21.
What is the InChIKey of 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene?
The InChIKey is NWSLSQZDUQFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-13(2,3)15(14(4,5)6)9-7-12-11(15)8-10-16-12/h8,10H,7,9H2,1-6H3.
What are the key properties of 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene?
4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene has a molecular weight of 236.42 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 176611134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).