3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate

C13H24O5Si — CID 174956610

IUPAC3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C8H16O3Si.C5H8O2/c1-3-8(9)10-6-5-7-12-11-4-2;1-4(2)5(6)7-3/h3H,1,4-7,12H2,2H3;1H2,2-3H3
InChIKeyXGKPOSPAUKGRIC-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.38
Rot. Bonds8

About 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate

3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 174956610) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID174956610
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C8H16O3Si.C5H8O2/c1-3-8(9)10-6-5-7-12-11-4-2;1-4(2)5(6)7-3/h3H,1,4-7,12H2,2H3;1H2,2-3H3
InChIKeyXGKPOSPAUKGRIC-UHFFFAOYSA-N
XLogP1.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.38
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-ethoxysilylpropyl prop-2-enoate;triethoxysilane
CID 157454535
3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 86583983
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
chloromethane;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174378741
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
6-methoxysilylhexyl prop-2-enoate
CID 150247885
3-ethoxysilylpropyl hex-2-enoate
CID 154200355

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate (CID 174956610) is 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=CC(=O)OCCC[SiH2]OCC.
What is the InChIKey of 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is XGKPOSPAUKGRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si.C5H8O2/c1-3-8(9)10-6-5-7-12-11-4-2;1-4(2)5(6)7-3/h3H,1,4-7,12H2,2H3;1H2,2-3H3.
What are the key properties of 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate?
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 288.42 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 174956610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).