3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate

C19H36O13Si4 — CID 176804843

IUPAC3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(OC)O[Si](C)(OC)O[Si](OC)(O[Si](OC)(OC)OO)c1ccccc1
InChIInChI=1S/C19H36O13Si4/c1-17(2)19(20)28-15-12-16-34(22,24-4)30-33(8,23-3)31-35(25-5,18-13-10-9-11-14-18)32-36(26-6,27-7)29-21/h9-11,13-14,21-22H,1,12,15-16H2,2-8H3
InChIKeyRNUPEVZROZGPQQ-UHFFFAOYSA-N
MW584.83 g/mol
LogP1.05
Rot. Bonds18

About 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate

3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 176804843) has the molecular formula C19H36O13Si4 and a molecular weight of 584.83 g/mol. Its IUPAC name is 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate
PubChem CID176804843
Molecular FormulaC19H36O13Si4
Molecular Weight584.83 g/mol
Exact Mass584.12
IUPAC Name3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(OC)O[Si](C)(OC)O[Si](OC)(O[Si](OC)(OC)OO)c1ccccc1
InChIInChI=1S/C19H36O13Si4/c1-17(2)19(20)28-15-12-16-34(22,24-4)30-33(8,23-3)31-35(25-5,18-13-10-9-11-14-18)32-36(26-6,27-7)29-21/h9-11,13-14,21-22H,1,12,15-16H2,2-8H3
InChIKeyRNUPEVZROZGPQQ-UHFFFAOYSA-N
XLogP1.05
TPSA149.83 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
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-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843

Frequently Asked Questions

What is the IUPAC name of 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate (CID 176804843) is 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O)(OC)O[Si](C)(OC)O[Si](OC)(O[Si](OC)(OC)OO)c1ccccc1.
What is the InChIKey of 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is RNUPEVZROZGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O13Si4/c1-17(2)19(20)28-15-12-16-34(22,24-4)30-33(8,23-3)31-35(25-5,18-13-10-9-11-14-18)32-36(26-6,27-7)29-21/h9-11,13-14,21-22H,1,12,15-16H2,2-8H3.
What are the key properties of 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate?
3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 584.83 g/mol, XLogP of 1.05, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 176804843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).