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

C13H26O6Si — CID 174434064

IUPACmethyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
SMILESCCC(CC=O)C(CC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C13H26O6Si/c1-6-11(7-9-14)12(13(15)16-2)8-10-20(17-3,18-4)19-5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyONDRCMGQLAWDEL-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.66
Rot. Bonds11

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

methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate (PubChem CID 174434064) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
PubChem CID174434064
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Namemethyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate
SMILESCCC(CC=O)C(CC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C13H26O6Si/c1-6-11(7-9-14)12(13(15)16-2)8-10-20(17-3,18-4)19-5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyONDRCMGQLAWDEL-UHFFFAOYSA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.66
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'}

Analyze methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate 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 methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The IUPAC name of methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate (CID 174434064) is methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate.
What is the SMILES notation for methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The canonical SMILES for methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate is CCC(CC=O)C(CC[Si](OC)(OC)OC)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
The InChIKey is ONDRCMGQLAWDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-6-11(7-9-14)12(13(15)16-2)8-10-20(17-3,18-4)19-5/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate?
methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate has a molecular weight of 306.43 g/mol, XLogP of 1.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-oxo-2-(2-trimethoxysilylethyl)pentanoate is sourced from PubChem (CID 174434064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).