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

C10H20O4Si2 — CID 71441586

IUPACdimethyl 2,3-bis(dimethylsilyl)but-2-enedioate
SMILESCOC(=O)C(=C(C(=O)OC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C10H20O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h15-16H,1-6H3
InChIKeyVGPMUJCBKVWGSJ-UHFFFAOYSA-N
MW260.44 g/mol
LogP0.68
Rot. Bonds4

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

dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate (PubChem CID 71441586) has the molecular formula C10H20O4Si2 and a molecular weight of 260.44 g/mol. Its IUPAC name is dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis(dimethylsilyl)but-2-enedioate
PubChem CID71441586
Molecular FormulaC10H20O4Si2
Molecular Weight260.44 g/mol
Exact Mass260.09
IUPAC Namedimethyl 2,3-bis(dimethylsilyl)but-2-enedioate
SMILESCOC(=O)C(=C(C(=O)OC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C10H20O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h15-16H,1-6H3
InChIKeyVGPMUJCBKVWGSJ-UHFFFAOYSA-N
XLogP0.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 50.68
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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Related Compounds

dimethyl oxalate
CID 11120
dimethyl oxalate;hydrochloride
CID 172754902
dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
CID 87704486
CID 87704486
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
dimethyl (Z)-2,3-bis(sulfanyl)but-2-enedioate
CID 6914047
ethane;methyl 2-oxopropanoate
CID 142946473
methyl 2-oxopropanoate;hydrate
CID 172759960

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 71441586) is dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate.
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)[SiH](C)C)[SiH](C)C.
What is the InChIKey of dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate?
The InChIKey is VGPMUJCBKVWGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si2/c1-13-9(11)7(15(3)4)8(16(5)6)10(12)14-2/h15-16H,1-6H3.
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 260.44 g/mol, XLogP of 0.68, 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 71441586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).