dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate

C6H10O7SSi — CID 174712598

IUPACdimethyl (Z)-2-silyloxysulfonylbut-2-enedioate
SMILESCOC(=O)/C=C(/C(=O)OC)S(=O)(=O)O[SiH3]
InChIInChI=1S/C6H10O7SSi/c1-11-5(7)3-4(6(8)12-2)14(9,10)13-15/h3H,1-2,15H3/b4-3-
InChIKeyDJXJFAOJVQVBNB-ARJAWSKDSA-N
MW254.29 g/mol
LogP-2.16
Rot. Bonds4

About dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate

dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate (PubChem CID 174712598) has the molecular formula C6H10O7SSi and a molecular weight of 254.29 g/mol. Its IUPAC name is dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-silyloxysulfonylbut-2-enedioate
PubChem CID174712598
Molecular FormulaC6H10O7SSi
Molecular Weight254.29 g/mol
Exact Mass253.99
IUPAC Namedimethyl (Z)-2-silyloxysulfonylbut-2-enedioate
SMILESCOC(=O)/C=C(/C(=O)OC)S(=O)(=O)O[SiH3]
InChIInChI=1S/C6H10O7SSi/c1-11-5(7)3-4(6(8)12-2)14(9,10)13-15/h3H,1-2,15H3/b4-3-
InChIKeyDJXJFAOJVQVBNB-ARJAWSKDSA-N
XLogP-2.16
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate?
The IUPAC name of dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate (CID 174712598) is dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate is COC(=O)/C=C(/C(=O)OC)S(=O)(=O)O[SiH3].
What is the InChIKey of dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate?
The InChIKey is DJXJFAOJVQVBNB-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10O7SSi/c1-11-5(7)3-4(6(8)12-2)14(9,10)13-15/h3H,1-2,15H3/b4-3-.
What are the key properties of dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate?
dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate has a molecular weight of 254.29 g/mol, XLogP of -2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-silyloxysulfonylbut-2-enedioate is sourced from PubChem (CID 174712598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).