3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid

C12H22O6Si — CID 158298402

IUPAC3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCC[SiH](OC)OC.C=CC(=O)O
InChIInChI=1S/C9H18O4Si.C3H4O2/c1-8(2)9(10)13-6-5-7-14(11-3)12-4;1-2-3(4)5/h14H,1,5-7H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyGMERXDXGAPQPPQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.27
Rot. Bonds8

About 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid

3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 158298402) has the molecular formula C12H22O6Si and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID158298402
Molecular FormulaC12H22O6Si
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCC[SiH](OC)OC.C=CC(=O)O
InChIInChI=1S/C9H18O4Si.C3H4O2/c1-8(2)9(10)13-6-5-7-14(11-3)12-4;1-2-3(4)5/h14H,1,5-7H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyGMERXDXGAPQPPQ-UHFFFAOYSA-N
XLogP1.27
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
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-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
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
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[ethoxy(silyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173224695
2-dimethoxysilylethyl prop-2-enoate
CID 123256455
ethyl(dimethoxy)silane;propyl 2-methylprop-2-enoate
CID 158202415
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

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid (CID 158298402) is 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)OCCC[SiH](OC)OC.C=CC(=O)O.
What is the InChIKey of 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is GMERXDXGAPQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si.C3H4O2/c1-8(2)9(10)13-6-5-7-14(11-3)12-4;1-2-3(4)5/h14H,1,5-7H2,2-4H3;2H,1H2,(H,4,5).
What are the key properties of 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid?
3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 290.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 158298402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).