methyl (Z)-3-ethylsulfonyloxyprop-2-enoate

C6H10O5S — CID 134862579

IUPACmethyl (Z)-3-ethylsulfonyloxyprop-2-enoate
SMILESCCS(=O)(=O)O/C=C\C(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-12(8,9)11-5-4-6(7)10-2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyDXBWCMKXVNGFDV-PLNGDYQASA-N
MW194.21 g/mol
LogP0.04
Rot. Bonds4

About methyl (Z)-3-ethylsulfonyloxyprop-2-enoate

methyl (Z)-3-ethylsulfonyloxyprop-2-enoate (PubChem CID 134862579) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is methyl (Z)-3-ethylsulfonyloxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-ethylsulfonyloxyprop-2-enoate
PubChem CID134862579
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Namemethyl (Z)-3-ethylsulfonyloxyprop-2-enoate
SMILESCCS(=O)(=O)O/C=C\C(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-12(8,9)11-5-4-6(7)10-2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyDXBWCMKXVNGFDV-PLNGDYQASA-N
XLogP0.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-Sulfopropyl acrylate potassium salt
CID 23663682
2-Propenoic acid, 3-sulfopropyl ester, potassium salt (1:1)
CID 16211705
methyl (E)-3-methylsulfonylprop-2-enoate
CID 6536881
2-Propenoic acid, 3-sulfopropyl ester, sodium salt (1:1)
CID 23672304
Acrylic acid, 3-(butylsulfonyl)-, ethyl ester
CID 6435229
Acrylic acid, 3-(ethylsulfonyl)-, ethyl ester
CID 6435230
methyl (2E)-3-sulfoprop-2-enoate
CID 121552276
3-Sulfopropyl acrylate
CID 85065
2-Sulfoethylacrylate
CID 14007811
Methyl 3-(methanesulfonyl)prop-2-enoate
CID 547876
Sulfonamidoethyl acrylate
CID 19880963
ethyl (E)-3-methylsulfonylprop-2-enoate
CID 89254910

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-ethylsulfonyloxyprop-2-enoate?
The IUPAC name of methyl (Z)-3-ethylsulfonyloxyprop-2-enoate (CID 134862579) is methyl (Z)-3-ethylsulfonyloxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-ethylsulfonyloxyprop-2-enoate?
The canonical SMILES for methyl (Z)-3-ethylsulfonyloxyprop-2-enoate is CCS(=O)(=O)O/C=C\C(=O)OC.
What is the InChIKey of methyl (Z)-3-ethylsulfonyloxyprop-2-enoate?
The InChIKey is DXBWCMKXVNGFDV-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O5S/c1-3-12(8,9)11-5-4-6(7)10-2/h4-5H,3H2,1-2H3/b5-4-.
What are the key properties of methyl (Z)-3-ethylsulfonyloxyprop-2-enoate?
methyl (Z)-3-ethylsulfonyloxyprop-2-enoate has a molecular weight of 194.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-ethylsulfonyloxyprop-2-enoate is sourced from PubChem (CID 134862579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).