3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate

C22H30O3Si2 — CID 54512859

IUPAC3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si2/c1-19(2)22(23)24-17-12-18-26(3,4)25-27(5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,1,12,17-18H2,2-5H3
InChIKeyYKJBKLUNUHCGIW-UHFFFAOYSA-N
MW398.65 g/mol
LogP4.11
Rot. Bonds9

About 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate

3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 54512859) has the molecular formula C22H30O3Si2 and a molecular weight of 398.65 g/mol. Its IUPAC name is 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
PubChem CID54512859
Molecular FormulaC22H30O3Si2
Molecular Weight398.65 g/mol
Exact Mass398.17
IUPAC Name3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si2/c1-19(2)22(23)24-17-12-18-26(3,4)25-27(5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,1,12,17-18H2,2-5H3
InChIKeyYKJBKLUNUHCGIW-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
3-[[2-[[[[(ethenyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-methyl-phenylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140810592
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
3-[[dimethyl(2-trimethylsilylethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;tetramethylsilane
CID 157121683
bis(3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate);3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2,2-dimethylbutanoate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-ethenoxyethyl 2,2-dimethylbutanoate;bis(2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate);2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 158113846
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
3-[[[bis[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]-trimethylsilyloxysilyl]-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 21242018

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate (CID 54512859) is 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is YKJBKLUNUHCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3Si2/c1-19(2)22(23)24-17-12-18-26(3,4)25-27(5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16H,1,12,17-18H2,2-5H3.
What are the key properties of 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 398.65 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 54512859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).