bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate

C13H28O5Si3 — CID 5372903

IUPACbis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h10H,1-9H3/b11-10-
InChIKeyUWSNVVANMGFIDM-KHPPLWFESA-N
MW348.62 g/mol
LogP3.48
Rot. Bonds6

About bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate

bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate (PubChem CID 5372903) has the molecular formula C13H28O5Si3 and a molecular weight of 348.62 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate
PubChem CID5372903
Molecular FormulaC13H28O5Si3
Molecular Weight348.62 g/mol
Exact Mass348.12
IUPAC Namebis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h10H,1-9H3/b11-10-
InChIKeyUWSNVVANMGFIDM-KHPPLWFESA-N
XLogP3.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate (CID 5372903) is bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate is C[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate?
The InChIKey is UWSNVVANMGFIDM-KHPPLWFESA-N. The full InChI is InChI=1S/C13H28O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h10H,1-9H3/b11-10-.
What are the key properties of bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate?
bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate has a molecular weight of 348.62 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-2-trimethylsilyloxybut-2-enedioate is sourced from PubChem (CID 5372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).