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

C13H26O5Si — CID 174418116

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

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

methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate (PubChem CID 174418116) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate
PubChem CID174418116
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namemethyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate
SMILESCCC(CC=O)C(CC[Si](C)(OC)OC)C(=O)OC
InChIInChI=1S/C13H26O5Si/c1-6-11(7-9-14)12(13(15)16-2)8-10-19(5,17-3)18-4/h9,11-12H,6-8,10H2,1-5H3
InChIKeyYFFYYWNUTDRYEL-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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Related Compounds

methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 175235861
3-ethylpentyl-dimethoxy-methylsilane
CID 159693424
methyl 2-(2-oxoethyl)but-3-enoate
CID 123768529
3,4-diethylhexanal
CID 141064811
methyl (2S)-2-methoxy-4-oxobutanoate
CID 130736035
methyl 2-bromo-4-oxobutanoate
CID 141401171
methyl 2-ethyl-5-oxopentanoate
CID 10997312
4-[dimethoxy(methyl)silyl]butan-2-amine
CID 22670886
3-ethyl-4-methylpentanal
CID 57153829
methyl (2R)-2-amino-3-ethylpentanoate;hydrochloride
CID 87789576
Methyl 4-oxo-2-(silyloxy)butanoate
CID 78067713
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate?
The IUPAC name of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate (CID 174418116) is methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate.
What is the SMILES notation for methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate?
The canonical SMILES for methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate is CCC(CC=O)C(CC[Si](C)(OC)OC)C(=O)OC.
What is the InChIKey of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate?
The InChIKey is YFFYYWNUTDRYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-6-11(7-9-14)12(13(15)16-2)8-10-19(5,17-3)18-4/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate?
methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-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-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate is sourced from PubChem (CID 174418116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).