trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate

C14H32O3Si2 — CID 553015

IUPACtrimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
SMILESCCC(C(=O)O[Si](C)(C)C)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-10-12(13(15)16-18(4,5)6)14(3,11-2)17-19(7,8)9/h12H,10-11H2,1-9H3
InChIKeyUISCJCGXZIOMBX-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.41
Rot. Bonds7

About trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate

trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate (PubChem CID 553015) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
PubChem CID553015
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Nametrimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate
SMILESCCC(C(=O)O[Si](C)(C)C)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-10-12(13(15)16-18(4,5)6)14(3,11-2)17-19(7,8)9/h12H,10-11H2,1-9H3
InChIKeyUISCJCGXZIOMBX-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.41
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

2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441
2,3-Dimethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)
CID 552447
2-Ethyl-3-trimethylsilyloxy(trimethylsilyl)valerate
CID 552948
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
Ethyl 2-ethyl-3-methyl-3-trimethylsilyloxyvalerate
CID 553006
3-Trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553013
Ethyl 3-ethyl-2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 13813473

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate (CID 553015) is trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate is CCC(C(=O)O[Si](C)(C)C)C(C)(CC)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
The InChIKey is UISCJCGXZIOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-10-12(13(15)16-18(4,5)6)14(3,11-2)17-19(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate?
trimethylsilyl 2-ethyl-3-methyl-3-trimethylsilyloxypentanoate has a molecular weight of 304.58 g/mol, XLogP of 4.41, 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-methyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 553015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).