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

C12H24O6Si — CID 173151510

IUPAC3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(COC)(OC)OC
InChIInChI=1S/C12H24O6Si/c1-10(2)11(13)17-7-6-8-19-18-12(15-4,16-5)9-14-3/h1,6-9,19H2,2-5H3
InChIKeyKAVIRLLBSBUXAV-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.61
Rot. Bonds11

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

3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate (PubChem CID 173151510) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
PubChem CID173151510
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(COC)(OC)OC
InChIInChI=1S/C12H24O6Si/c1-10(2)11(13)17-7-6-8-19-18-12(15-4,16-5)9-14-3/h1,6-9,19H2,2-5H3
InChIKeyKAVIRLLBSBUXAV-UHFFFAOYSA-N
XLogP0.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228
3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 173117468
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 123158447
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
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
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate (CID 173151510) is 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]OC(COC)(OC)OC.
What is the InChIKey of 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
The InChIKey is KAVIRLLBSBUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-10(2)11(13)17-7-6-8-19-18-12(15-4,16-5)9-14-3/h1,6-9,19H2,2-5H3.
What are the key properties of 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate?
3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate has a molecular weight of 292.40 g/mol, XLogP of 0.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 173151510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).