3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate

C21H42O9Si2 — CID 87696910

IUPAC3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C[Si](OC)(OC)OC.C=C(C)C(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C11H22O5Si.C10H20O4Si/c1-9(2)11(12)16-7-10(3)8-17(13-4,14-5)15-6;1-9(2)10(11)14-7-6-8-15(5,12-3)13-4/h10H,1,7-8H2,2-6H3;1,6-8H2,2-5H3
InChIKeySFPHWBRNVKNTQS-UHFFFAOYSA-N
MW494.73 g/mol
LogP3.48
Rot. Bonds15

About 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate

3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate (PubChem CID 87696910) has the molecular formula C21H42O9Si2 and a molecular weight of 494.73 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate
PubChem CID87696910
Molecular FormulaC21H42O9Si2
Molecular Weight494.73 g/mol
Exact Mass494.24
IUPAC Name3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C[Si](OC)(OC)OC.C=C(C)C(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C11H22O5Si.C10H20O4Si/c1-9(2)11(12)16-7-10(3)8-17(13-4,14-5)15-6;1-9(2)10(11)14-7-6-8-15(5,12-3)13-4/h10H,1,7-8H2,2-6H3;1,6-8H2,2-5H3
InChIKeySFPHWBRNVKNTQS-UHFFFAOYSA-N
XLogP3.48
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[methyl-bis(methylperoxy)silyl]propyl 2-methylprop-2-enoate
CID 141453327
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[2-[dimethoxy(methyl)silyl]ethoxy]propyl 2-methylprop-2-enoate
CID 171586989
3-[3-[2-[dimethoxy(methyl)silyl]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 171586980
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140912977

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate (CID 87696910) is 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)C[Si](OC)(OC)OC.C=C(C)C(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate?
The InChIKey is SFPHWBRNVKNTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si.C10H20O4Si/c1-9(2)11(12)16-7-10(3)8-17(13-4,14-5)15-6;1-9(2)10(11)14-7-6-8-15(5,12-3)13-4/h10H,1,7-8H2,2-6H3;1,6-8H2,2-5H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate?
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate has a molecular weight of 494.73 g/mol, XLogP of 3.48, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 87696910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).