2-(2,2-dimethylpropyl)thiophene

C9H14S — CID 546189

IUPAC2-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)Cc1cccs1
InChIInChI=1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3
InChIKeyCKEFAAZAPOLRPW-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.34
Rot. Bonds1

About 2-(2,2-dimethylpropyl)thiophene

2-(2,2-dimethylpropyl)thiophene (PubChem CID 546189) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)thiophene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)thiophene
PubChem CID546189
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)Cc1cccs1
InChIInChI=1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3
InChIKeyCKEFAAZAPOLRPW-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)thiophene?
The IUPAC name of 2-(2,2-dimethylpropyl)thiophene (CID 546189) is 2-(2,2-dimethylpropyl)thiophene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)thiophene?
The canonical SMILES for 2-(2,2-dimethylpropyl)thiophene is CC(C)(C)Cc1cccs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)thiophene?
The InChIKey is CKEFAAZAPOLRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)thiophene?
2-(2,2-dimethylpropyl)thiophene has a molecular weight of 154.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 546189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).