trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate

C13H30O3Si2 — CID 552948

IUPACtrimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate
SMILESCCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-9-11(13(14)16-18(6,7)8)12(10-2)15-17(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyITDJJIWNPALFIY-UHFFFAOYSA-N
MW290.55 g/mol
LogP4.02
Rot. Bonds7

About trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate

trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate (PubChem CID 552948) has the molecular formula C13H30O3Si2 and a molecular weight of 290.55 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate
PubChem CID552948
Molecular FormulaC13H30O3Si2
Molecular Weight290.55 g/mol
Exact Mass290.17
IUPAC Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate
SMILESCCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-9-11(13(14)16-18(6,7)8)12(10-2)15-17(3,4)5/h11-12H,9-10H2,1-8H3
InChIKeyITDJJIWNPALFIY-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 54.02
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

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 11557578
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
2-Methyl-3-hydroxyvaleric acid, diTMS (1)
CID 91747802
2-Methyl-3-hydroxyvaleric acid, diTMS (2)
CID 91747803

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate (CID 552948) is trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate is CCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate?
The InChIKey is ITDJJIWNPALFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si2/c1-9-11(13(14)16-18(6,7)8)12(10-2)15-17(3,4)5/h11-12H,9-10H2,1-8H3.
What are the key properties of trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate?
trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate has a molecular weight of 290.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 552948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).