[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate

C22H42O5Si4 — CID 148549656

IUPAC[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H42O5Si4/c1-19(2)22(23)24-17-21(20-15-13-12-14-16-20)18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h12-16,21H,1,17-18H2,2-11H3
InChIKeyXAVOLLCPMXSDHF-UHFFFAOYSA-N
MW498.92 g/mol
LogP6.38
Rot. Bonds12

About [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate

[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate (PubChem CID 148549656) has the molecular formula C22H42O5Si4 and a molecular weight of 498.92 g/mol. Its IUPAC name is [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate
PubChem CID148549656
Molecular FormulaC22H42O5Si4
Molecular Weight498.92 g/mol
Exact Mass498.21
IUPAC Name[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H42O5Si4/c1-19(2)22(23)24-17-21(20-15-13-12-14-16-20)18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h12-16,21H,1,17-18H2,2-11H3
InChIKeyXAVOLLCPMXSDHF-UHFFFAOYSA-N
XLogP6.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935
(2-phenyl-2-phenylsulfanylethyl) 2-methylprop-2-enoate
CID 59781925
2-(2-phenylpentoxycarbonyl)prop-2-enoic acid
CID 141491590
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
[2-(2-methylprop-2-enylperoxy)-2-phenylethyl] 2-methylprop-2-enoate
CID 89014344
[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
CID 88758596
2-thiophen-2-ylbutyl 2-methylprop-2-enoate
CID 56999397
triethyl-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxo-1-phenylpropyl]phosphanium chloride
CID 172811755
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
[2-(diethylamino)-2-phenoxyethyl] 2-methylprop-2-enoate
CID 67680774
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate (CID 148549656) is [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate?
The InChIKey is XAVOLLCPMXSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O5Si4/c1-19(2)22(23)24-17-21(20-15-13-12-14-16-20)18-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h12-16,21H,1,17-18H2,2-11H3.
What are the key properties of [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate?
[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate has a molecular weight of 498.92 g/mol, XLogP of 6.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 148549656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).