1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate

C17H38O7Si4 — CID 54485160

IUPAC1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
SMILESCOC(=O)C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si4/c1-20-16(18)12-13-17(19)21-14-11-15-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h12-13H,11,14-15H2,1-10H3
InChIKeyXRTZZPQLKNKAFT-UHFFFAOYSA-N
MW466.83 g/mol
LogP4.14
Rot. Bonds12

About 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate

1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate (PubChem CID 54485160) has the molecular formula C17H38O7Si4 and a molecular weight of 466.83 g/mol. Its IUPAC name is 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
PubChem CID54485160
Molecular FormulaC17H38O7Si4
Molecular Weight466.83 g/mol
Exact Mass466.17
IUPAC Name1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
SMILESCOC(=O)C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si4/c1-20-16(18)12-13-17(19)21-14-11-15-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h12-13H,11,14-15H2,1-10H3
InChIKeyXRTZZPQLKNKAFT-UHFFFAOYSA-N
XLogP4.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
CID 142736749
4-O-(2-aminoethyl) 1-O-methyl (E)-but-2-enedioate;hydrochloride
CID 176697469
4-oxo-4-(3-trimethylsilylpropoxy)but-2-enoic acid
CID 91126449
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
1-O-methyl 4-O-(4-oxohexyl) (E)-but-2-enedioate
CID 153005942

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate?
The IUPAC name of 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate (CID 54485160) is 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate.
What is the SMILES notation for 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate?
The canonical SMILES for 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate is COC(=O)C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate?
The InChIKey is XRTZZPQLKNKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O7Si4/c1-20-16(18)12-13-17(19)21-14-11-15-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h12-13H,11,14-15H2,1-10H3.
What are the key properties of 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate?
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate has a molecular weight of 466.83 g/mol, XLogP of 4.14, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate is sourced from PubChem (CID 54485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).