2-methyl-3-methylsulfonylprop-1-ene

C5H10O2S — CID 5324760

IUPAC2-methyl-3-methylsulfonylprop-1-ene
SMILESC=C(C)CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h1,4H2,2-3H3
InChIKeyCPMVKTMUIJDRIJ-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.61
Rot. Bonds2

About 2-methyl-3-methylsulfonylprop-1-ene

2-methyl-3-methylsulfonylprop-1-ene (PubChem CID 5324760) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonylprop-1-ene.

Molecular Properties

Compound Name2-methyl-3-methylsulfonylprop-1-ene
PubChem CID5324760
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-methyl-3-methylsulfonylprop-1-ene
SMILESC=C(C)CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h1,4H2,2-3H3
InChIKeyCPMVKTMUIJDRIJ-UHFFFAOYSA-N
XLogP0.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
CID 70941
4,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-
CID 136676
2-Methyl-2-propa-1,2-dienylsulfonylpropane
CID 10855770
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
1-[(E)-but-2-enyl]sulfonyl-3-methylbuta-1,2-diene
CID 15026003
2-Methyl-3-(2-methylprop-2-enylsulfonyl)prop-1-ene
CID 15189432
3-(Ethenylsulfonyl)-2-methyl-1-propene
CID 23466772
1-Prop-1-enylsulfonylpropane
CID 86135283
3-Ethylsulfinyl-2-methylprop-1-ene
CID 88205674
1-(Fluoromethylsulfonyl)-3-methylbut-2-ene
CID 20558572
2-Ethenylsulfonylprop-1-ene
CID 21932343
Methyl 3-methyl-2-butenyl sulfone
CID 13076814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonylprop-1-ene?
The IUPAC name of 2-methyl-3-methylsulfonylprop-1-ene (CID 5324760) is 2-methyl-3-methylsulfonylprop-1-ene.
What is the SMILES notation for 2-methyl-3-methylsulfonylprop-1-ene?
The canonical SMILES for 2-methyl-3-methylsulfonylprop-1-ene is C=C(C)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonylprop-1-ene?
The InChIKey is CPMVKTMUIJDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h1,4H2,2-3H3.
What are the key properties of 2-methyl-3-methylsulfonylprop-1-ene?
2-methyl-3-methylsulfonylprop-1-ene has a molecular weight of 134.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonylprop-1-ene is sourced from PubChem (CID 5324760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).