3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate

C11H22O5Si — CID 173117468

IUPAC3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(C)(OC)OC
InChIInChI=1S/C11H22O5Si/c1-9(2)10(12)15-7-6-8-17-16-11(3,13-4)14-5/h1,6-8,17H2,2-5H3
InChIKeyXLBULQXJMFXSNK-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.98
Rot. Bonds9

About 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate

3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate (PubChem CID 173117468) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
PubChem CID173117468
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(C)(OC)OC
InChIInChI=1S/C11H22O5Si/c1-9(2)10(12)15-7-6-8-17-16-11(3,13-4)14-5/h1,6-8,17H2,2-5H3
InChIKeyXLBULQXJMFXSNK-UHFFFAOYSA-N
XLogP0.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.98
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 173151510
3-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
4-(2-methoxypropan-2-yloxy)butyl 2-methylprop-2-enoate
CID 139724088
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 123158447
3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate
CID 175573579
3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate
CID 154483338
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
(4-methyl-4-silyloxysilylpentyl) 2-methylprop-2-enoate
CID 173295431

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate (CID 173117468) is 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]OC(C)(OC)OC.
What is the InChIKey of 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The InChIKey is XLBULQXJMFXSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-9(2)10(12)15-7-6-8-17-16-11(3,13-4)14-5/h1,6-8,17H2,2-5H3.
What are the key properties of 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate has a molecular weight of 262.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 173117468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).