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

C14H28O5Si — CID 174434070

IUPACmethyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate
SMILESCCC(CC=O)C(CC[Si](CC)(OC)OC)C(=O)OC
InChIInChI=1S/C14H28O5Si/c1-6-12(8-10-15)13(14(16)17-3)9-11-20(7-2,18-4)19-5/h10,12-13H,6-9,11H2,1-5H3
InChIKeyZLQKAZJPXQIEQH-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.54
Rot. Bonds11

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

methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate (PubChem CID 174434070) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate
PubChem CID174434070
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namemethyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate
SMILESCCC(CC=O)C(CC[Si](CC)(OC)OC)C(=O)OC
InChIInChI=1S/C14H28O5Si/c1-6-12(8-10-15)13(14(16)17-3)9-11-20(7-2,18-4)19-5/h10,12-13H,6-9,11H2,1-5H3
InChIKeyZLQKAZJPXQIEQH-UHFFFAOYSA-N
XLogP2.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.54
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 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate?
The IUPAC name of methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate (CID 174434070) is methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate.
What is the SMILES notation for methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate?
The canonical SMILES for methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate is CCC(CC=O)C(CC[Si](CC)(OC)OC)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate?
The InChIKey is ZLQKAZJPXQIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-6-12(8-10-15)13(14(16)17-3)9-11-20(7-2,18-4)19-5/h10,12-13H,6-9,11H2,1-5H3.
What are the key properties of methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate?
methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate has a molecular weight of 304.46 g/mol, XLogP of 2.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate is sourced from PubChem (CID 174434070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).