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

C24H36O5Si3 — CID 66675453

IUPAC3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H36O5Si3/c1-21(2)24(25)27-19-14-20-32(26-3,28-30(4,5)22-15-10-8-11-16-22)29-31(6,7)23-17-12-9-13-18-23/h8-13,15-18H,1,14,19-20H2,2-7H3
InChIKeyXDUOJNFUTGDKFX-UHFFFAOYSA-N
MW488.81 g/mol
LogP4.34
Rot. Bonds12

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

3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 66675453) has the molecular formula C24H36O5Si3 and a molecular weight of 488.81 g/mol. Its IUPAC name is 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
PubChem CID66675453
Molecular FormulaC24H36O5Si3
Molecular Weight488.81 g/mol
Exact Mass488.19
IUPAC Name3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H36O5Si3/c1-21(2)24(25)27-19-14-20-32(26-3,28-30(4,5)22-15-10-8-11-16-22)29-31(6,7)23-17-12-9-13-18-23/h8-13,15-18H,1,14,19-20H2,2-7H3
InChIKeyXDUOJNFUTGDKFX-UHFFFAOYSA-N
XLogP4.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
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]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977927
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
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
(2-ethenylphenyl)methanol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174809447
2-[dimethoxy(phenoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977872
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
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

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate (CID 66675453) is 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(O[Si](C)(C)c1ccccc1)O[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is XDUOJNFUTGDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O5Si3/c1-21(2)24(25)27-19-14-20-32(26-3,28-30(4,5)22-15-10-8-11-16-22)29-31(6,7)23-17-12-9-13-18-23/h8-13,15-18H,1,14,19-20H2,2-7H3.
What are the key properties of 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate?
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 488.81 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 66675453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).