3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate

C18H42O6Si4 — CID 59642122

IUPAC3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-11-18(19)21-16-12-14-20-15-13-17-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h11H,1,12-17H2,2-10H3
InChIKeyVLVQIEBUSNEVEH-UHFFFAOYSA-N
MW466.87 g/mol
LogP5.01
Rot. Bonds15

About 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate

3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate (PubChem CID 59642122) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
PubChem CID59642122
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Name3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-11-18(19)21-16-12-14-20-15-13-17-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h11H,1,12-17H2,2-10H3
InChIKeyVLVQIEBUSNEVEH-UHFFFAOYSA-N
XLogP5.01
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 55.01
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

3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
3-tris[[ethenyl(dimethoxy)silyl]oxy]silylpropyl prop-2-enoate
CID 142752557
[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
CID 59648758
3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
CID 141294200
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258

Frequently Asked Questions

What is the IUPAC name of 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate?
The IUPAC name of 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate (CID 59642122) is 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate is C=CC(=O)OCCCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate?
The InChIKey is VLVQIEBUSNEVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-11-18(19)21-16-12-14-20-15-13-17-28(22-25(2,3)4,23-26(5,6)7)24-27(8,9)10/h11H,1,12-17H2,2-10H3.
What are the key properties of 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate?
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate has a molecular weight of 466.87 g/mol, XLogP of 5.01, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate is sourced from PubChem (CID 59642122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).