2-tert-butyl-3-propan-2-ylthiophene

C11H18S — CID 23527319

IUPAC2-tert-butyl-3-propan-2-ylthiophene
SMILESCC(C)c1ccsc1C(C)(C)C
InChIInChI=1S/C11H18S/c1-8(2)9-6-7-12-10(9)11(3,4)5/h6-8H,1-5H3
InChIKeyJZGWVRJMVGHNRX-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.17
Rot. Bonds1

About 2-tert-butyl-3-propan-2-ylthiophene

2-tert-butyl-3-propan-2-ylthiophene (PubChem CID 23527319) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2-tert-butyl-3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-tert-butyl-3-propan-2-ylthiophene
PubChem CID23527319
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2-tert-butyl-3-propan-2-ylthiophene
SMILESCC(C)c1ccsc1C(C)(C)C
InChIInChI=1S/C11H18S/c1-8(2)9-6-7-12-10(9)11(3,4)5/h6-8H,1-5H3
InChIKeyJZGWVRJMVGHNRX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-propan-2-ylthiophene?
The IUPAC name of 2-tert-butyl-3-propan-2-ylthiophene (CID 23527319) is 2-tert-butyl-3-propan-2-ylthiophene.
What is the SMILES notation for 2-tert-butyl-3-propan-2-ylthiophene?
The canonical SMILES for 2-tert-butyl-3-propan-2-ylthiophene is CC(C)c1ccsc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-propan-2-ylthiophene?
The InChIKey is JZGWVRJMVGHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-8(2)9-6-7-12-10(9)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-3-propan-2-ylthiophene?
2-tert-butyl-3-propan-2-ylthiophene has a molecular weight of 182.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-propan-2-ylthiophene is sourced from PubChem (CID 23527319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).