2-methyl-1-methylsulfinylbut-2-ene

C6H12OS — CID 173494774

IUPAC2-methyl-1-methylsulfinylbut-2-ene
SMILESCC=C(C)CS(C)=O
InChIInChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h4H,5H2,1-3H3
InChIKeyCLSXMEAVTNYZHP-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-1-methylsulfinylbut-2-ene

2-methyl-1-methylsulfinylbut-2-ene (PubChem CID 173494774) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-methyl-1-methylsulfinylbut-2-ene.

Molecular Properties

Compound Name2-methyl-1-methylsulfinylbut-2-ene
PubChem CID173494774
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-methyl-1-methylsulfinylbut-2-ene
SMILESCC=C(C)CS(C)=O
InChIInChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h4H,5H2,1-3H3
InChIKeyCLSXMEAVTNYZHP-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-methylsulfinylprop-1-ene
CID 89314117
[(E)-2-methylbut-2-enyl] hydrogen sulfite
CID 118684400
2-fluoro-3-methylsulfinylprop-1-ene
CID 144552497
(NE)-N-[(3E)-3-hydroxyimino-1-[(S)-methylsulfinyl]-4-[(R)-methylsulfinyl]butan-2-ylidene]hydroxylamine
CID 136791176
(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene
CID 19352987
[(E)-2-methylbut-2-enyl] sulfite
CID 118684399
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
4,4-dimethyl-1-methylsulfinylpentan-2-one
CID 14489832
ethane;(E)-3-methylpent-2-ene
CID 144523626
CID 59448637
CID 59448637
3-methylpent-2-ene;zirconium
CID 174393280
CID 90784675
CID 90784675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfinylbut-2-ene?
The IUPAC name of 2-methyl-1-methylsulfinylbut-2-ene (CID 173494774) is 2-methyl-1-methylsulfinylbut-2-ene.
What is the SMILES notation for 2-methyl-1-methylsulfinylbut-2-ene?
The canonical SMILES for 2-methyl-1-methylsulfinylbut-2-ene is CC=C(C)CS(C)=O.
What is the InChIKey of 2-methyl-1-methylsulfinylbut-2-ene?
The InChIKey is CLSXMEAVTNYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-6(2)5-8(3)7/h4H,5H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfinylbut-2-ene?
2-methyl-1-methylsulfinylbut-2-ene has a molecular weight of 132.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfinylbut-2-ene is sourced from PubChem (CID 173494774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).