3-butan-2-yl-2-methyl-2,3-dihydrothiophene

C9H16S — CID 163543772

IUPAC3-butan-2-yl-2-methyl-2,3-dihydrothiophene
SMILESCCC(C)C1C=CSC1C
InChIInChI=1S/C9H16S/c1-4-7(2)9-5-6-10-8(9)3/h5-9H,4H2,1-3H3
InChIKeyFDGZLZCXCJXHHN-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.30
Rot. Bonds2

About 3-butan-2-yl-2-methyl-2,3-dihydrothiophene

3-butan-2-yl-2-methyl-2,3-dihydrothiophene (PubChem CID 163543772) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3-butan-2-yl-2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-butan-2-yl-2-methyl-2,3-dihydrothiophene
PubChem CID163543772
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3-butan-2-yl-2-methyl-2,3-dihydrothiophene
SMILESCCC(C)C1C=CSC1C
InChIInChI=1S/C9H16S/c1-4-7(2)9-5-6-10-8(9)3/h5-9H,4H2,1-3H3
InChIKeyFDGZLZCXCJXHHN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methyl-2,3-dihydrothiophene?
The IUPAC name of 3-butan-2-yl-2-methyl-2,3-dihydrothiophene (CID 163543772) is 3-butan-2-yl-2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-butan-2-yl-2-methyl-2,3-dihydrothiophene?
The canonical SMILES for 3-butan-2-yl-2-methyl-2,3-dihydrothiophene is CCC(C)C1C=CSC1C.
What is the InChIKey of 3-butan-2-yl-2-methyl-2,3-dihydrothiophene?
The InChIKey is FDGZLZCXCJXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-4-7(2)9-5-6-10-8(9)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methyl-2,3-dihydrothiophene?
3-butan-2-yl-2-methyl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 163543772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).