ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

C14H30O3Si — CID 102218411

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-16-13(15)12(10-11(2)3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyPZTHMIXHCZVKGI-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds6

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (PubChem CID 102218411) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
PubChem CID102218411
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-16-13(15)12(10-11(2)3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyPZTHMIXHCZVKGI-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
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

tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-4-methylpentanoate
CID 553056
ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
[tert-butyl(dimethyl)silyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11175848
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
Trimethylsilyl 3-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 528641
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(s)-Methyl 2-(t-butyldimethylsilanyloxy)-4-methyl-pentanoate
CID 16756101
trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
CID 134894689
Methyl 1-((tert-butyldimethylsilyl)oxy)cyclopropanecarboxylate
CID 11128611
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 16756238
methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
CID 16757386
3-[Tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19900863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate (CID 102218411) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is CCOC(=O)C(CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
The InChIKey is PZTHMIXHCZVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-16-13(15)12(10-11(2)3)17-18(7,8)14(4,5)6/h11-12H,9-10H2,1-8H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate is sourced from PubChem (CID 102218411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).