1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate

C14H32O5Si3 — CID 22677159

IUPAC1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(CO[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-11-13(15)17-14(18-21(5,6)7,19-22(8,9)10)12-16-20(2,3)4/h11H,1,12H2,2-10H3
InChIKeyWOQOYOSYMHEAOM-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.92
Rot. Bonds9

About 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate

1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate (PubChem CID 22677159) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
PubChem CID22677159
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Name1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(CO[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-11-13(15)17-14(18-21(5,6)7,19-22(8,9)10)12-16-20(2,3)4/h11H,1,12H2,2-10H3
InChIKeyWOQOYOSYMHEAOM-UHFFFAOYSA-N
XLogP3.92
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
CID 146473580
[1-[dimethyl(trimethylsilyloxy)silyl]-2-methylpropan-2-yl] prop-2-enoate
CID 18949578
[2-methyl-1-[methyl-bis(trimethylsilyloxy)silyl]propan-2-yl] prop-2-enoate
CID 18949546
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate
CID 158231977
N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide
CID 175636430
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[2-[4-hydroxy-3,3-bis(hydroxymethyl)butan-2-yl]oxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
CID 22377999
tert-butyl prop-2-enoate;methanol
CID 174833528
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
CID 141069270

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate?
The IUPAC name of 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate (CID 22677159) is 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate?
The canonical SMILES for 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate is C=CC(=O)OC(CO[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate?
The InChIKey is WOQOYOSYMHEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-11-13(15)17-14(18-21(5,6)7,19-22(8,9)10)12-16-20(2,3)4/h11H,1,12H2,2-10H3.
What are the key properties of 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate?
1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate has a molecular weight of 364.66 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 22677159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).