2-(3-methylbutyl)-2,3-dihydrothiophene

C9H16S — CID 174535816

IUPAC2-(3-methylbutyl)-2,3-dihydrothiophene
SMILESCC(C)CCC1CC=CS1
InChIInChI=1S/C9H16S/c1-8(2)5-6-9-4-3-7-10-9/h3,7-9H,4-6H2,1-2H3
InChIKeyWYMOYUYMTSLSJL-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-methylbutyl)-2,3-dihydrothiophene

2-(3-methylbutyl)-2,3-dihydrothiophene (PubChem CID 174535816) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-(3-methylbutyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(3-methylbutyl)-2,3-dihydrothiophene
PubChem CID174535816
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-(3-methylbutyl)-2,3-dihydrothiophene
SMILESCC(C)CCC1CC=CS1
InChIInChI=1S/C9H16S/c1-8(2)5-6-9-4-3-7-10-9/h3,7-9H,4-6H2,1-2H3
InChIKeyWYMOYUYMTSLSJL-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-(3-methylbutyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(3-methylbutyl)-2,3-dihydrothiophene (CID 174535816) is 2-(3-methylbutyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(3-methylbutyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(3-methylbutyl)-2,3-dihydrothiophene is CC(C)CCC1CC=CS1.
What is the InChIKey of 2-(3-methylbutyl)-2,3-dihydrothiophene?
The InChIKey is WYMOYUYMTSLSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-8(2)5-6-9-4-3-7-10-9/h3,7-9H,4-6H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-2,3-dihydrothiophene?
2-(3-methylbutyl)-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-2,3-dihydrothiophene is sourced from PubChem (CID 174535816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).