bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate

C22H44O10Si2 — CID 140673134

IUPACbis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
SMILESCCO[Si](CCCOC(=O)/C=C\C(=O)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H44O10Si2/c1-7-27-33(28-8-2,29-9-3)19-13-17-25-21(23)15-16-22(24)26-18-14-20-34(30-10-4,31-11-5)32-12-6/h15-16H,7-14,17-20H2,1-6H3/b16-15-
InChIKeyGSAIXTQLBZNOJJ-NXVVXOECSA-N
MW524.76 g/mol
LogP3.51
Rot. Bonds22

About bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate

bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate (PubChem CID 140673134) has the molecular formula C22H44O10Si2 and a molecular weight of 524.76 g/mol. Its IUPAC name is bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
PubChem CID140673134
Molecular FormulaC22H44O10Si2
Molecular Weight524.76 g/mol
Exact Mass524.25
IUPAC Namebis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
SMILESCCO[Si](CCCOC(=O)/C=C\C(=O)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H44O10Si2/c1-7-27-33(28-8-2,29-9-3)19-13-17-25-21(23)15-16-22(24)26-18-14-20-34(30-10-4,31-11-5)32-12-6/h15-16H,7-14,17-20H2,1-6H3/b16-15-
InChIKeyGSAIXTQLBZNOJJ-NXVVXOECSA-N
XLogP3.51
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335
4-triethoxysilylbutyl propanoate
CID 141347796
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
CID 142736749
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913

Frequently Asked Questions

What is the IUPAC name of bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate?
The IUPAC name of bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate (CID 140673134) is bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate is CCO[Si](CCCOC(=O)/C=C\C(=O)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate?
The InChIKey is GSAIXTQLBZNOJJ-NXVVXOECSA-N. The full InChI is InChI=1S/C22H44O10Si2/c1-7-27-33(28-8-2,29-9-3)19-13-17-25-21(23)15-16-22(24)26-18-14-20-34(30-10-4,31-11-5)32-12-6/h15-16H,7-14,17-20H2,1-6H3/b16-15-.
What are the key properties of bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate?
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate has a molecular weight of 524.76 g/mol, XLogP of 3.51, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate is sourced from PubChem (CID 140673134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).