ethyl 2-ethyl-3-trimethylsilyloxypentanoate

C12H26O3Si — CID 552933

IUPACethyl 2-ethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(CC)C(CC)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-10(12(13)14-9-3)11(8-2)15-16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyKTERKKAQKGAUQS-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.21
Rot. Bonds7

About ethyl 2-ethyl-3-trimethylsilyloxypentanoate

ethyl 2-ethyl-3-trimethylsilyloxypentanoate (PubChem CID 552933) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is ethyl 2-ethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-trimethylsilyloxypentanoate
PubChem CID552933
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameethyl 2-ethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(CC)C(CC)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-10(12(13)14-9-3)11(8-2)15-16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyKTERKKAQKGAUQS-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
4-(Propan-2-yl)-3-(trimethylsilyl)oxetan-2-one
CID 12426049
(3R,4S)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426050
(3R,4R)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426051
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of ethyl 2-ethyl-3-trimethylsilyloxypentanoate (CID 552933) is ethyl 2-ethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for ethyl 2-ethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for ethyl 2-ethyl-3-trimethylsilyloxypentanoate is CCOC(=O)C(CC)C(CC)O[Si](C)(C)C.
What is the InChIKey of ethyl 2-ethyl-3-trimethylsilyloxypentanoate?
The InChIKey is KTERKKAQKGAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-10(12(13)14-9-3)11(8-2)15-16(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of ethyl 2-ethyl-3-trimethylsilyloxypentanoate?
ethyl 2-ethyl-3-trimethylsilyloxypentanoate has a molecular weight of 246.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 552933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).