(E)-2-methyl-1-methylsulfinylbut-1-ene

C6H12OS — CID 123754683

IUPAC(E)-2-methyl-1-methylsulfinylbut-1-ene
SMILESCC/C(C)=C/S(C)=O
InChIInChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h5H,4H2,1-3H3/b6-5+
InChIKeyIBPZJGUZOOAKLH-AATRIKPKSA-N
MW132.23 g/mol
LogP1.68
Rot. Bonds2

About (E)-2-methyl-1-methylsulfinylbut-1-ene

(E)-2-methyl-1-methylsulfinylbut-1-ene (PubChem CID 123754683) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-2-methyl-1-methylsulfinylbut-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-methylsulfinylbut-1-ene
PubChem CID123754683
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-2-methyl-1-methylsulfinylbut-1-ene
SMILESCC/C(C)=C/S(C)=O
InChIInChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h5H,4H2,1-3H3/b6-5+
InChIKeyIBPZJGUZOOAKLH-AATRIKPKSA-N
XLogP1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-methylsulfinylbut-1-ene?
The IUPAC name of (E)-2-methyl-1-methylsulfinylbut-1-ene (CID 123754683) is (E)-2-methyl-1-methylsulfinylbut-1-ene.
What is the SMILES notation for (E)-2-methyl-1-methylsulfinylbut-1-ene?
The canonical SMILES for (E)-2-methyl-1-methylsulfinylbut-1-ene is CC/C(C)=C/S(C)=O.
What is the InChIKey of (E)-2-methyl-1-methylsulfinylbut-1-ene?
The InChIKey is IBPZJGUZOOAKLH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h5H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-methyl-1-methylsulfinylbut-1-ene?
(E)-2-methyl-1-methylsulfinylbut-1-ene has a molecular weight of 132.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-methylsulfinylbut-1-ene is sourced from PubChem (CID 123754683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).