diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate

C13H22O5Si — CID 175277348

IUPACdiethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate
SMILESCCOC(=O)/C=C(\C(=O)OCC)C1([SiH3])CCCCO1
InChIInChI=1S/C13H22O5Si/c1-3-16-11(14)9-10(12(15)17-4-2)13(19)7-5-6-8-18-13/h9H,3-8H2,1-2,19H3/b10-9+
InChIKeyFHXVSEXTXWIKSX-MDZDMXLPSA-N
MW286.40 g/mol
LogP0.30
Rot. Bonds5

About diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate

diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate (PubChem CID 175277348) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate.

Molecular Properties

Compound Namediethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate
PubChem CID175277348
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namediethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate
SMILESCCOC(=O)/C=C(\C(=O)OCC)C1([SiH3])CCCCO1
InChIInChI=1S/C13H22O5Si/c1-3-16-11(14)9-10(12(15)17-4-2)13(19)7-5-6-8-18-13/h9H,3-8H2,1-2,19H3/b10-9+
InChIKeyFHXVSEXTXWIKSX-MDZDMXLPSA-N
XLogP0.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate?
The IUPAC name of diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate (CID 175277348) is diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate.
What is the SMILES notation for diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate?
The canonical SMILES for diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate is CCOC(=O)/C=C(\C(=O)OCC)C1([SiH3])CCCCO1.
What is the InChIKey of diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate?
The InChIKey is FHXVSEXTXWIKSX-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-3-16-11(14)9-10(12(15)17-4-2)13(19)7-5-6-8-18-13/h9H,3-8H2,1-2,19H3/b10-9+.
What are the key properties of diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate?
diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate has a molecular weight of 286.40 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate is sourced from PubChem (CID 175277348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).