3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate

C23H34O5Si3 — CID 66674902

IUPAC3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H34O5Si3/c1-20(2)23(24)26-18-13-19-31(25,27-29(3,4)21-14-9-7-10-15-21)28-30(5,6)22-16-11-8-12-17-22/h7-12,14-17,25H,1,13,18-19H2,2-6H3
InChIKeyYBHLEQMPRVDELJ-UHFFFAOYSA-N
MW474.78 g/mol
LogP3.68
Rot. Bonds11

About 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate

3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 66674902) has the molecular formula C23H34O5Si3 and a molecular weight of 474.78 g/mol. Its IUPAC name is 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
PubChem CID66674902
Molecular FormulaC23H34O5Si3
Molecular Weight474.78 g/mol
Exact Mass474.17
IUPAC Name3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H34O5Si3/c1-20(2)23(24)26-18-13-19-31(25,27-29(3,4)21-14-9-7-10-15-21)28-30(5,6)22-16-11-8-12-17-22/h7-12,14-17,25H,1,13,18-19H2,2-6H3
InChIKeyYBHLEQMPRVDELJ-UHFFFAOYSA-N
XLogP3.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[bis[[ethenyl(dimethyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 22325845
3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate
CID 59593747
3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate
CID 176804843
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
CID 102034522
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate (CID 66674902) is 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is YBHLEQMPRVDELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5Si3/c1-20(2)23(24)26-18-13-19-31(25,27-29(3,4)21-14-9-7-10-15-21)28-30(5,6)22-16-11-8-12-17-22/h7-12,14-17,25H,1,13,18-19H2,2-6H3.
What are the key properties of 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate?
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 474.78 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 66674902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).