2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one

C10H20O6Si — CID 174596050

IUPAC2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one
SMILESC=C(C)C(=O)O.CCC(=O)[Si](OC)(OC)OC
InChIInChI=1S/C6H14O4Si.C4H6O2/c1-5-6(7)11(8-2,9-3)10-4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyMIGUVFROZXZYBJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.03
Rot. Bonds6

About 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one

2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one (PubChem CID 174596050) has the molecular formula C10H20O6Si and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one
PubChem CID174596050
Molecular FormulaC10H20O6Si
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one
SMILESC=C(C)C(=O)O.CCC(=O)[Si](OC)(OC)OC
InChIInChI=1S/C6H14O4Si.C4H6O2/c1-5-6(7)11(8-2,9-3)10-4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyMIGUVFROZXZYBJ-UHFFFAOYSA-N
XLogP1.03
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one?
The IUPAC name of 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one (CID 174596050) is 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one.
What is the SMILES notation for 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one?
The canonical SMILES for 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one is C=C(C)C(=O)O.CCC(=O)[Si](OC)(OC)OC.
What is the InChIKey of 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one?
The InChIKey is MIGUVFROZXZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4Si.C4H6O2/c1-5-6(7)11(8-2,9-3)10-4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one?
2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one has a molecular weight of 264.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one is sourced from PubChem (CID 174596050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).