5-tert-butyl-3-methyl-2,3-dihydrothiophene

C9H16S — CID 89303768

IUPAC5-tert-butyl-3-methyl-2,3-dihydrothiophene
SMILESCC1C=C(C(C)(C)C)SC1
InChIInChI=1S/C9H16S/c1-7-5-8(10-6-7)9(2,3)4/h5,7H,6H2,1-4H3
InChIKeyXFNIAFSCDPYCDJ-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.30
Rot. Bonds

About 5-tert-butyl-3-methyl-2,3-dihydrothiophene

5-tert-butyl-3-methyl-2,3-dihydrothiophene (PubChem CID 89303768) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-2,3-dihydrothiophene
PubChem CID89303768
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name5-tert-butyl-3-methyl-2,3-dihydrothiophene
SMILESCC1C=C(C(C)(C)C)SC1
InChIInChI=1S/C9H16S/c1-7-5-8(10-6-7)9(2,3)4/h5,7H,6H2,1-4H3
InChIKeyXFNIAFSCDPYCDJ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-2,3-dihydrothiophene?
The IUPAC name of 5-tert-butyl-3-methyl-2,3-dihydrothiophene (CID 89303768) is 5-tert-butyl-3-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-tert-butyl-3-methyl-2,3-dihydrothiophene?
The canonical SMILES for 5-tert-butyl-3-methyl-2,3-dihydrothiophene is CC1C=C(C(C)(C)C)SC1.
What is the InChIKey of 5-tert-butyl-3-methyl-2,3-dihydrothiophene?
The InChIKey is XFNIAFSCDPYCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-5-8(10-6-7)9(2,3)4/h5,7H,6H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-2,3-dihydrothiophene?
5-tert-butyl-3-methyl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 89303768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).