dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate

C22H28O4Si2 — CID 101127569

IUPACdimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
SMILESCOC(=O)/C(=C(/C(=O)OC)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H28O4Si2/c1-25-21(23)19(27(3,4)17-13-9-7-10-14-17)20(22(24)26-2)28(5,6)18-15-11-8-12-16-18/h7-16H,1-6H3/b20-19+
InChIKeyGTSDMGXCJYAQPG-FMQUCBEESA-N
MW412.63 g/mol
LogP2.94
Rot. Bonds6

About dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate

dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate (PubChem CID 101127569) has the molecular formula C22H28O4Si2 and a molecular weight of 412.63 g/mol. Its IUPAC name is dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
PubChem CID101127569
Molecular FormulaC22H28O4Si2
Molecular Weight412.63 g/mol
Exact Mass412.15
IUPAC Namedimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
SMILESCOC(=O)/C(=C(/C(=O)OC)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H28O4Si2/c1-25-21(23)19(27(3,4)17-13-9-7-10-14-17)20(22(24)26-2)28(5,6)18-15-11-8-12-16-18/h7-16H,1-6H3/b20-19+
InChIKeyGTSDMGXCJYAQPG-FMQUCBEESA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate?
The IUPAC name of dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate (CID 101127569) is dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate is COC(=O)/C(=C(/C(=O)OC)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate?
The InChIKey is GTSDMGXCJYAQPG-FMQUCBEESA-N. The full InChI is InChI=1S/C22H28O4Si2/c1-25-21(23)19(27(3,4)17-13-9-7-10-14-17)20(22(24)26-2)28(5,6)18-15-11-8-12-16-18/h7-16H,1-6H3/b20-19+.
What are the key properties of dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate?
dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate has a molecular weight of 412.63 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate is sourced from PubChem (CID 101127569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).