methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate

C12H24O6Si — CID 174418110

IUPACmethyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
SMILESCOC(=O)C(CC[Si](OC)(OC)OC)C(C)CC=O
InChIInChI=1S/C12H24O6Si/c1-10(6-8-13)11(12(14)15-2)7-9-19(16-3,17-4)18-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyFGLFGVAJLPPNTJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.27
Rot. Bonds10

About methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate

methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate (PubChem CID 174418110) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
PubChem CID174418110
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Namemethyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
SMILESCOC(=O)C(CC[Si](OC)(OC)OC)C(C)CC=O
InChIInChI=1S/C12H24O6Si/c1-10(6-8-13)11(12(14)15-2)7-9-19(16-3,17-4)18-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyFGLFGVAJLPPNTJ-UHFFFAOYSA-N
XLogP1.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The IUPAC name of methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate (CID 174418110) is methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate.
What is the SMILES notation for methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The canonical SMILES for methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate is COC(=O)C(CC[Si](OC)(OC)OC)C(C)CC=O.
What is the InChIKey of methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The InChIKey is FGLFGVAJLPPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-10(6-8-13)11(12(14)15-2)7-9-19(16-3,17-4)18-5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate has a molecular weight of 292.40 g/mol, XLogP of 1.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate is sourced from PubChem (CID 174418110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).