(E)-2-methyl-3-triethoxysilylprop-2-enoic acid

C10H20O5Si — CID 19437271

IUPAC(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
SMILESCCO[Si](/C=C(\C)C(=O)O)(OCC)OCC
InChIInChI=1S/C10H20O5Si/c1-5-13-16(14-6-2,15-7-3)8-9(4)10(11)12/h8H,5-7H2,1-4H3,(H,11,12)/b9-8+
InChIKeyBWGUMJJPNLTQAS-CMDGGOBGSA-N
MW248.35 g/mol
LogP1.60
Rot. Bonds8

About (E)-2-methyl-3-triethoxysilylprop-2-enoic acid

(E)-2-methyl-3-triethoxysilylprop-2-enoic acid (PubChem CID 19437271) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is (E)-2-methyl-3-triethoxysilylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
PubChem CID19437271
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
SMILESCCO[Si](/C=C(\C)C(=O)O)(OCC)OCC
InChIInChI=1S/C10H20O5Si/c1-5-13-16(14-6-2,15-7-3)8-9(4)10(11)12/h8H,5-7H2,1-4H3,(H,11,12)/b9-8+
InChIKeyBWGUMJJPNLTQAS-CMDGGOBGSA-N
XLogP1.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-trimethoxysilylprop-2-enoic acid;silane
CID 174945961
(E)-3-[dimethyl(trimethylsilyloxy)silyl]-2-methylprop-2-enoic acid
CID 173194037
ethyl carbamate;(E)-2-methylbut-2-enoic acid
CID 22492613
(E)-2-methyl-3-trimethylsilyloxyprop-2-enoic acid
CID 131356298
4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
CID 176528894
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
CID 158703292
CID 158703292
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
CID 103254484
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-triethoxysilylprop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-triethoxysilylprop-2-enoic acid (CID 19437271) is (E)-2-methyl-3-triethoxysilylprop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-triethoxysilylprop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-triethoxysilylprop-2-enoic acid is CCO[Si](/C=C(\C)C(=O)O)(OCC)OCC.
What is the InChIKey of (E)-2-methyl-3-triethoxysilylprop-2-enoic acid?
The InChIKey is BWGUMJJPNLTQAS-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-5-13-16(14-6-2,15-7-3)8-9(4)10(11)12/h8H,5-7H2,1-4H3,(H,11,12)/b9-8+.
What are the key properties of (E)-2-methyl-3-triethoxysilylprop-2-enoic acid?
(E)-2-methyl-3-triethoxysilylprop-2-enoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-triethoxysilylprop-2-enoic acid is sourced from PubChem (CID 19437271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).