3-propan-2-yl-4-prop-1-en-2-ylthiophene

C10H14S — CID 71391806

IUPAC3-propan-2-yl-4-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cscc1C(C)C
InChIInChI=1S/C10H14S/c1-7(2)9-5-11-6-10(9)8(3)4/h5-6,8H,1H2,2-4H3
InChIKeyPBVUXAKMNMVPLX-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.90
Rot. Bonds2

About 3-propan-2-yl-4-prop-1-en-2-ylthiophene

3-propan-2-yl-4-prop-1-en-2-ylthiophene (PubChem CID 71391806) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-propan-2-yl-4-prop-1-en-2-ylthiophene.

Molecular Properties

Compound Name3-propan-2-yl-4-prop-1-en-2-ylthiophene
PubChem CID71391806
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-propan-2-yl-4-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cscc1C(C)C
InChIInChI=1S/C10H14S/c1-7(2)9-5-11-6-10(9)8(3)4/h5-6,8H,1H2,2-4H3
InChIKeyPBVUXAKMNMVPLX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-prop-1-en-2-ylthiophene?
The IUPAC name of 3-propan-2-yl-4-prop-1-en-2-ylthiophene (CID 71391806) is 3-propan-2-yl-4-prop-1-en-2-ylthiophene.
What is the SMILES notation for 3-propan-2-yl-4-prop-1-en-2-ylthiophene?
The canonical SMILES for 3-propan-2-yl-4-prop-1-en-2-ylthiophene is C=C(C)c1cscc1C(C)C.
What is the InChIKey of 3-propan-2-yl-4-prop-1-en-2-ylthiophene?
The InChIKey is PBVUXAKMNMVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-7(2)9-5-11-6-10(9)8(3)4/h5-6,8H,1H2,2-4H3.
What are the key properties of 3-propan-2-yl-4-prop-1-en-2-ylthiophene?
3-propan-2-yl-4-prop-1-en-2-ylthiophene has a molecular weight of 166.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-prop-1-en-2-ylthiophene is sourced from PubChem (CID 71391806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).