2,3-ditert-butyl-5-propan-2-ylthiophene

C15H26S — CID 58548228

IUPAC2,3-ditert-butyl-5-propan-2-ylthiophene
SMILESCC(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/C15H26S/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h9-10H,1-8H3
InChIKeyBEILPLJKZBNFKG-UHFFFAOYSA-N
MW238.44 g/mol
LogP5.47
Rot. Bonds1

About 2,3-ditert-butyl-5-propan-2-ylthiophene

2,3-ditert-butyl-5-propan-2-ylthiophene (PubChem CID 58548228) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2,3-ditert-butyl-5-propan-2-ylthiophene
PubChem CID58548228
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name2,3-ditert-butyl-5-propan-2-ylthiophene
SMILESCC(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/C15H26S/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h9-10H,1-8H3
InChIKeyBEILPLJKZBNFKG-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-ditert-butyl-5-propan-2-ylthiophene 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 2,3-ditert-butyl-5-propan-2-ylthiophene?
The IUPAC name of 2,3-ditert-butyl-5-propan-2-ylthiophene (CID 58548228) is 2,3-ditert-butyl-5-propan-2-ylthiophene.
What is the SMILES notation for 2,3-ditert-butyl-5-propan-2-ylthiophene?
The canonical SMILES for 2,3-ditert-butyl-5-propan-2-ylthiophene is CC(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.
What is the InChIKey of 2,3-ditert-butyl-5-propan-2-ylthiophene?
The InChIKey is BEILPLJKZBNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h9-10H,1-8H3.
What are the key properties of 2,3-ditert-butyl-5-propan-2-ylthiophene?
2,3-ditert-butyl-5-propan-2-ylthiophene has a molecular weight of 238.44 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-propan-2-ylthiophene is sourced from PubChem (CID 58548228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).