ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

C14H30O3Si — CID 10683749

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)CC(C)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-14(6,11-12(15)16-10-2)17-18(7,8)13(3,4)5/h9-11H2,1-8H3
InChIKeyGIYJFASUUKJGGH-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds6

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 10683749) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID10683749
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCOC(=O)CC(C)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-14(6,11-12(15)16-10-2)17-18(7,8)13(3,4)5/h9-11H2,1-8H3
InChIKeyGIYJFASUUKJGGH-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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

Mevalonic lactone, trimethylsilyl
CID 528660
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
Ethyl 2-ethyl-3-trimethylsilyloxyvalerate
CID 552933
Ethyl 2-methyl-3-trimethylsiloxyvalerate
CID 552954
Ethyl 2-ethyl-3-methyl-3-trimethylsilyloxyvalerate
CID 553006
3-Trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553013
Pentanoic acid, 3-methyl-3,5-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553345
Butanoic acid, 2-ethyl-3-(triethylsilyloxy)-, ethyl ester
CID 568637
2H-Pyran-2-one, 4-[(tert-butyldimethylsilyl)oxy]tetrahydro-4-methyl-
CID 589237
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 21604458

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 10683749) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is CCOC(=O)CC(C)(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The InChIKey is GIYJFASUUKJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-14(6,11-12(15)16-10-2)17-18(7,8)13(3,4)5/h9-11H2,1-8H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is sourced from PubChem (CID 10683749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).