Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate

C10H18O4Si2 — CID 78070279

IUPAC—
SMILESCOC(=O)C(=C(C(=O)OC)[Si](C)C)[Si](C)C
InChIInChI=1S/C10H18O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h1-6H3
InChIKeyWHRQUCBUANSJJV-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.22
Rot. Bonds4

About Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate

Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate (PubChem CID 78070279) has the molecular formula C10H18O4Si2 and a molecular weight of 258.42 g/mol.

Molecular Properties

Compound NameDimethyl 2,3-bis(dimethylsilyl)but-2-enedioate
PubChem CID78070279
Molecular FormulaC10H18O4Si2
Molecular Weight258.42 g/mol
Exact Mass258.07
IUPAC Name—
SMILESCOC(=O)C(=C(C(=O)OC)[Si](C)C)[Si](C)C
InChIInChI=1S/C10H18O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h1-6H3
InChIKeyWHRQUCBUANSJJV-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.22
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 2,3-bis(dimethylsilyl)but-2-enedioate?
The IUPAC name of Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate (CID 78070279) is not available.
What is the SMILES notation for Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate?
The canonical SMILES for Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate is COC(=O)C(=C(C(=O)OC)[Si](C)C)[Si](C)C.
What is the InChIKey of Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate?
The InChIKey is WHRQUCBUANSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h1-6H3.
What are the key properties of Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate?
Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate has a molecular weight of 258.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate is sourced from PubChem (CID 78070279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).