2-methyl-1-trimethoxysilylprop-2-en-1-one

C7H14O4Si — CID 20501951

IUPAC2-methyl-1-trimethoxysilylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H14O4Si/c1-6(2)7(8)12(9-3,10-4)11-5/h1H2,2-5H3
InChIKeyIKTABEIWDPZBHF-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.55
Rot. Bonds5

About 2-methyl-1-trimethoxysilylprop-2-en-1-one

2-methyl-1-trimethoxysilylprop-2-en-1-one (PubChem CID 20501951) has the molecular formula C7H14O4Si and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-methyl-1-trimethoxysilylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-trimethoxysilylprop-2-en-1-one
PubChem CID20501951
Molecular FormulaC7H14O4Si
Molecular Weight190.27 g/mol
Exact Mass190.07
IUPAC Name2-methyl-1-trimethoxysilylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H14O4Si/c1-6(2)7(8)12(9-3,10-4)11-5/h1H2,2-5H3
InChIKeyIKTABEIWDPZBHF-UHFFFAOYSA-N
XLogP0.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-1-trimethoxysilylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-trimethoxysilylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-trimethoxysilylprop-2-en-1-one (CID 20501951) is 2-methyl-1-trimethoxysilylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-trimethoxysilylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-trimethoxysilylprop-2-en-1-one is C=C(C)C(=O)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-1-trimethoxysilylprop-2-en-1-one?
The InChIKey is IKTABEIWDPZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4Si/c1-6(2)7(8)12(9-3,10-4)11-5/h1H2,2-5H3.
What are the key properties of 2-methyl-1-trimethoxysilylprop-2-en-1-one?
2-methyl-1-trimethoxysilylprop-2-en-1-one has a molecular weight of 190.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-trimethoxysilylprop-2-en-1-one is sourced from PubChem (CID 20501951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).