methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate

C15H30O5Si — CID 174420020

IUPACmethyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCCO[Si](CC)(CCC(C(=O)OC)C(C)CC=O)OCC
InChIInChI=1S/C15H30O5Si/c1-6-19-21(8-3,20-7-2)12-10-14(15(17)18-5)13(4)9-11-16/h11,13-14H,6-10,12H2,1-5H3
InChIKeyBWXCIMRZAGDSKB-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.93
Rot. Bonds12

About methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate

methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate (PubChem CID 174420020) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate
PubChem CID174420020
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCCO[Si](CC)(CCC(C(=O)OC)C(C)CC=O)OCC
InChIInChI=1S/C15H30O5Si/c1-6-19-21(8-3,20-7-2)12-10-14(15(17)18-5)13(4)9-11-16/h11,13-14H,6-10,12H2,1-5H3
InChIKeyBWXCIMRZAGDSKB-UHFFFAOYSA-N
XLogP2.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate 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 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The IUPAC name of methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate (CID 174420020) is methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate.
What is the SMILES notation for methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The canonical SMILES for methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate is CCO[Si](CC)(CCC(C(=O)OC)C(C)CC=O)OCC.
What is the InChIKey of methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
The InChIKey is BWXCIMRZAGDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-6-19-21(8-3,20-7-2)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 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate?
methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate has a molecular weight of 318.49 g/mol, XLogP of 2.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate is sourced from PubChem (CID 174420020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).