bis(ethoxysilyl) (Z)-but-2-enedioate

C8H16O6Si2 — CID 175607217

IUPACbis(ethoxysilyl) (Z)-but-2-enedioate
SMILESCCO[SiH2]OC(=O)/C=C\C(=O)O[SiH2]OCC
InChIInChI=1S/C8H16O6Si2/c1-3-11-15-13-7(9)5-6-8(10)14-16-12-4-2/h5-6H,3-4,15-16H2,1-2H3/b6-5-
InChIKeyFPGIFFDOSGOJGH-WAYWQWQTSA-N
MW264.38 g/mol
LogP-1.30
Rot. Bonds8

About bis(ethoxysilyl) (Z)-but-2-enedioate

bis(ethoxysilyl) (Z)-but-2-enedioate (PubChem CID 175607217) has the molecular formula C8H16O6Si2 and a molecular weight of 264.38 g/mol. Its IUPAC name is bis(ethoxysilyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(ethoxysilyl) (Z)-but-2-enedioate
PubChem CID175607217
Molecular FormulaC8H16O6Si2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Namebis(ethoxysilyl) (Z)-but-2-enedioate
SMILESCCO[SiH2]OC(=O)/C=C\C(=O)O[SiH2]OCC
InChIInChI=1S/C8H16O6Si2/c1-3-11-15-13-7(9)5-6-8(10)14-16-12-4-2/h5-6H,3-4,15-16H2,1-2H3/b6-5-
InChIKeyFPGIFFDOSGOJGH-WAYWQWQTSA-N
XLogP-1.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
4-O-butylsilyl 1-O-methyl (E)-but-2-enedioate
CID 173066983
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxycarbonyl 1-O-ethyl (Z)-but-2-enedioate
CID 175217873
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
dimethyl (Z)-but-2-enedioate;triethoxysilane
CID 174885500
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl] 1-O-methyl (Z)-but-2-enedioate
CID 87630975
1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate
CID 123152315
ethoxysilyl dihydrogen phosphate
CID 174868661
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687

Frequently Asked Questions

What is the IUPAC name of bis(ethoxysilyl) (Z)-but-2-enedioate?
The IUPAC name of bis(ethoxysilyl) (Z)-but-2-enedioate (CID 175607217) is bis(ethoxysilyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(ethoxysilyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(ethoxysilyl) (Z)-but-2-enedioate is CCO[SiH2]OC(=O)/C=C\C(=O)O[SiH2]OCC.
What is the InChIKey of bis(ethoxysilyl) (Z)-but-2-enedioate?
The InChIKey is FPGIFFDOSGOJGH-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16O6Si2/c1-3-11-15-13-7(9)5-6-8(10)14-16-12-4-2/h5-6H,3-4,15-16H2,1-2H3/b6-5-.
What are the key properties of bis(ethoxysilyl) (Z)-but-2-enedioate?
bis(ethoxysilyl) (Z)-but-2-enedioate has a molecular weight of 264.38 g/mol, XLogP of -1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxysilyl) (Z)-but-2-enedioate is sourced from PubChem (CID 175607217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).