ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid

C16H28O10Si — CID 175171477

IUPACethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid
SMILESC=CC(=O)OC.C=C[Si](OCC)(OCC)OCC.O=C(O)C1OC1C(=O)O
InChIInChI=1S/C8H18O3Si.C4H4O5.C4H6O2/c1-5-9-12(8-4,10-6-2)11-7-3;5-3(6)1-2(9-1)4(7)8;1-3-4(5)6-2/h8H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8);3H,1H2,2H3
InChIKeyGFKILHBOIXNWGK-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.03
Rot. Bonds10

About ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid

ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid (PubChem CID 175171477) has the molecular formula C16H28O10Si and a molecular weight of 408.48 g/mol. Its IUPAC name is ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid
PubChem CID175171477
Molecular FormulaC16H28O10Si
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Nameethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid
SMILESC=CC(=O)OC.C=C[Si](OCC)(OCC)OCC.O=C(O)C1OC1C(=O)O
InChIInChI=1S/C8H18O3Si.C4H4O5.C4H6O2/c1-5-9-12(8-4,10-6-2)11-7-3;5-3(6)1-2(9-1)4(7)8;1-3-4(5)6-2/h8H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8);3H,1H2,2H3
InChIKeyGFKILHBOIXNWGK-UHFFFAOYSA-N
XLogP1.03
TPSA141.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid?
The IUPAC name of ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid (CID 175171477) is ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid.
What is the SMILES notation for ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid?
The canonical SMILES for ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid is C=CC(=O)OC.C=C[Si](OCC)(OCC)OCC.O=C(O)C1OC1C(=O)O.
What is the InChIKey of ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid?
The InChIKey is GFKILHBOIXNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si.C4H4O5.C4H6O2/c1-5-9-12(8-4,10-6-2)11-7-3;5-3(6)1-2(9-1)4(7)8;1-3-4(5)6-2/h8H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8);3H,1H2,2H3.
What are the key properties of ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid?
ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid has a molecular weight of 408.48 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid is sourced from PubChem (CID 175171477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).