prop-1-en-2-yl methanesulfonate

C4H8O3S — CID 11240509

IUPACprop-1-en-2-yl methanesulfonate
SMILESC=C(C)OS(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-4(2)7-8(3,5)6/h1H2,2-3H3
InChIKeyLBJZMKBFDQNENS-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.50
Rot. Bonds2

About prop-1-en-2-yl methanesulfonate

prop-1-en-2-yl methanesulfonate (PubChem CID 11240509) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is prop-1-en-2-yl methanesulfonate.

Molecular Properties

Compound Nameprop-1-en-2-yl methanesulfonate
PubChem CID11240509
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Nameprop-1-en-2-yl methanesulfonate
SMILESC=C(C)OS(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-4(2)7-8(3,5)6/h1H2,2-3H3
InChIKeyLBJZMKBFDQNENS-UHFFFAOYSA-N
XLogP0.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

prop-1-en-2-yl 3-hydroxypropane-1-sulfonate
CID 175525822
3-methylsulfonyloxybut-2-enoic acid
CID 154095640
methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate
CID 159410023
3-methyl-1-methylsulfonylbut-3-en-2-ol
CID 115817465
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene
CID 174737556
methylsulfonyl 3-hydroxypropanoate
CID 171561772
CID 142697665
CID 142697665
1,1-diphenylprop-1-en-2-yl methanesulfonate
CID 135076312
2-hydroxy-3-prop-1-en-2-yloxypropane-1-sulfonic acid
CID 174926640
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
[(3E,5E)-6-nitrohepta-1,3,5-trien-3-yl] methanesulfonate
CID 121277244

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl methanesulfonate?
The IUPAC name of prop-1-en-2-yl methanesulfonate (CID 11240509) is prop-1-en-2-yl methanesulfonate.
What is the SMILES notation for prop-1-en-2-yl methanesulfonate?
The canonical SMILES for prop-1-en-2-yl methanesulfonate is C=C(C)OS(C)(=O)=O.
What is the InChIKey of prop-1-en-2-yl methanesulfonate?
The InChIKey is LBJZMKBFDQNENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c1-4(2)7-8(3,5)6/h1H2,2-3H3.
What are the key properties of prop-1-en-2-yl methanesulfonate?
prop-1-en-2-yl methanesulfonate has a molecular weight of 136.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl methanesulfonate is sourced from PubChem (CID 11240509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).