5-ethyl-2-propan-2-yl-2,3-dihydrothiophene

C9H16S — CID 89089846

IUPAC5-ethyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=CCC(C(C)C)S1
InChIInChI=1S/C9H16S/c1-4-8-5-6-9(10-8)7(2)3/h5,7,9H,4,6H2,1-3H3
InChIKeyPNVWJRAAWWKJFO-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds2

About 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene

5-ethyl-2-propan-2-yl-2,3-dihydrothiophene (PubChem CID 89089846) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-2,3-dihydrothiophene
PubChem CID89089846
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name5-ethyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=CCC(C(C)C)S1
InChIInChI=1S/C9H16S/c1-4-8-5-6-9(10-8)7(2)3/h5,7,9H,4,6H2,1-3H3
InChIKeyPNVWJRAAWWKJFO-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene (CID 89089846) is 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene is CCC1=CCC(C(C)C)S1.
What is the InChIKey of 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is PNVWJRAAWWKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-4-8-5-6-9(10-8)7(2)3/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
5-ethyl-2-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 89089846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).