methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate

C11H18O6S — CID 54558665

IUPACmethyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C11H18O6S/c1-8(2)9(12)17-6-7-18(14,15)11(3,4)10(13)16-5/h1,6-7H2,2-5H3
InChIKeyZOZLAAYOQCEGFI-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.47
Rot. Bonds6

About methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate

methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate (PubChem CID 54558665) has the molecular formula C11H18O6S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate
PubChem CID54558665
Molecular FormulaC11H18O6S
Molecular Weight278.33 g/mol
Exact Mass278.08
IUPAC Namemethyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C11H18O6S/c1-8(2)9(12)17-6-7-18(14,15)11(3,4)10(13)16-5/h1,6-7H2,2-5H3
InChIKeyZOZLAAYOQCEGFI-UHFFFAOYSA-N
XLogP0.47
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-chloro-2-methylpropanoate
CID 20815885
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate?
The IUPAC name of methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate (CID 54558665) is methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate is C=C(C)C(=O)OCCS(=O)(=O)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate?
The InChIKey is ZOZLAAYOQCEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6S/c1-8(2)9(12)17-6-7-18(14,15)11(3,4)10(13)16-5/h1,6-7H2,2-5H3.
What are the key properties of methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate?
methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate has a molecular weight of 278.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate is sourced from PubChem (CID 54558665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).