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

C13H26O5Si — CID 174418115

IUPACmethyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCC[Si](CCC(C(=O)OC)C(C)CC=O)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-6-19(17-4,18-5)10-8-12(13(15)16-3)11(2)7-9-14/h9,11-12H,6-8,10H2,1-5H3
InChIKeyIKWHCCUJMXLDGA-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.15
Rot. Bonds10

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

methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate (PubChem CID 174418115) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate
PubChem CID174418115
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namemethyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate
SMILESCC[Si](CCC(C(=O)OC)C(C)CC=O)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-6-19(17-4,18-5)10-8-12(13(15)16-3)11(2)7-9-14/h9,11-12H,6-8,10H2,1-5H3
InChIKeyIKWHCCUJMXLDGA-UHFFFAOYSA-N
XLogP2.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate?
The IUPAC name of methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate (CID 174418115) is methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate.
What is the SMILES notation for methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate?
The canonical SMILES for methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate is CC[Si](CCC(C(=O)OC)C(C)CC=O)(OC)OC.
What is the InChIKey of methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate?
The InChIKey is IKWHCCUJMXLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-6-19(17-4,18-5)10-8-12(13(15)16-3)11(2)7-9-14/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate?
methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate has a molecular weight of 290.43 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate is sourced from PubChem (CID 174418115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).