ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate

C14H30O3Si — CID 129404573

IUPACethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCC[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyDOEGCTJIRIDBEK-GFCCVEGCSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds7

About ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 129404573) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID129404573
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCC[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyDOEGCTJIRIDBEK-GFCCVEGCSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(iodomethyl)-tetrahydropyran-2-one
CID 10937529
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 13320647
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
4-Propyl-3-trimethylsilyloxetan-2-one
CID 12426046

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 129404573) is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate is CCC[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is DOEGCTJIRIDBEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 129404573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).