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

C15H30O6Si — CID 174424555

IUPACmethyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate
SMILESCCO[Si](CCC(C(=O)OC)C(C)CC=O)(OCC)OCC
InChIInChI=1S/C15H30O6Si/c1-6-19-22(20-7-2,21-8-3)12-10-14(15(17)18-5)13(4)9-11-16/h11,13-14H,6-10,12H2,1-5H3
InChIKeyWAESZNRVAOLDDZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.44
Rot. Bonds13

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

methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate (PubChem CID 174424555) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate
PubChem CID174424555
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Namemethyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate
SMILESCCO[Si](CCC(C(=O)OC)C(C)CC=O)(OCC)OCC
InChIInChI=1S/C15H30O6Si/c1-6-19-22(20-7-2,21-8-3)12-10-14(15(17)18-5)13(4)9-11-16/h11,13-14H,6-10,12H2,1-5H3
InChIKeyWAESZNRVAOLDDZ-UHFFFAOYSA-N
XLogP2.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.44
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-triethoxysilylethyl)pentanoate?
The IUPAC name of methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate (CID 174424555) is methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate.
What is the SMILES notation for methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate?
The canonical SMILES for methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate is CCO[Si](CCC(C(=O)OC)C(C)CC=O)(OCC)OCC.
What is the InChIKey of methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate?
The InChIKey is WAESZNRVAOLDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-6-19-22(20-7-2,21-8-3)12-10-14(15(17)18-5)13(4)9-11-16/h11,13-14H,6-10,12H2,1-5H3.
What are the key properties of methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate?
methyl 3-methyl-5-oxo-2-(2-triethoxysilylethyl)pentanoate has a molecular weight of 334.49 g/mol, XLogP of 2.44, 13 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-triethoxysilylethyl)pentanoate is sourced from PubChem (CID 174424555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).