3-cyclopropyl-2-propan-2-ylthiophene

C10H14S — CID 118881618

IUPAC3-cyclopropyl-2-propan-2-ylthiophene
SMILESCC(C)c1sccc1C1CC1
InChIInChI=1S/C10H14S/c1-7(2)10-9(5-6-11-10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFETKJEVGSPAMAW-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.75
Rot. Bonds2

About 3-cyclopropyl-2-propan-2-ylthiophene

3-cyclopropyl-2-propan-2-ylthiophene (PubChem CID 118881618) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-cyclopropyl-2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-cyclopropyl-2-propan-2-ylthiophene
PubChem CID118881618
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-cyclopropyl-2-propan-2-ylthiophene
SMILESCC(C)c1sccc1C1CC1
InChIInChI=1S/C10H14S/c1-7(2)10-9(5-6-11-10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFETKJEVGSPAMAW-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-propan-2-ylthiophene?
The IUPAC name of 3-cyclopropyl-2-propan-2-ylthiophene (CID 118881618) is 3-cyclopropyl-2-propan-2-ylthiophene.
What is the SMILES notation for 3-cyclopropyl-2-propan-2-ylthiophene?
The canonical SMILES for 3-cyclopropyl-2-propan-2-ylthiophene is CC(C)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-propan-2-ylthiophene?
The InChIKey is FETKJEVGSPAMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-7(2)10-9(5-6-11-10)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-propan-2-ylthiophene?
3-cyclopropyl-2-propan-2-ylthiophene has a molecular weight of 166.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-propan-2-ylthiophene is sourced from PubChem (CID 118881618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).