[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate

C17H36O4Si — CID 58593349

IUPAC[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
SMILESCCOC[C@@](C)(COC(=O)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H36O4Si/c1-9-19-13-17(8,14-20-15(18)16(5,6)7)21-22(10-2,11-3)12-4/h9-14H2,1-8H3/t17-/m0/s1
InChIKeyFXIWPJKODGLSOZ-KRWDZBQOSA-N
MW332.56 g/mol
LogP4.39
Rot. Bonds10

About [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate

[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate (PubChem CID 58593349) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
PubChem CID58593349
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
SMILESCCOC[C@@](C)(COC(=O)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H36O4Si/c1-9-19-13-17(8,14-20-15(18)16(5,6)7)21-22(10-2,11-3)12-4/h9-14H2,1-8H3/t17-/m0/s1
InChIKeyFXIWPJKODGLSOZ-KRWDZBQOSA-N
XLogP4.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate
CID 45278460
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate
CID 125493476
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
1-O-ethyl 3-O-methyl 2-(ethoxymethyl)-2-hydroxypropanedioate
CID 90962392
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
ethyl 2,2,3-triethoxypropanoate
CID 175005029

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate (CID 58593349) is [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate is CCOC[C@@](C)(COC(=O)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate?
The InChIKey is FXIWPJKODGLSOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-9-19-13-17(8,14-20-15(18)16(5,6)7)21-22(10-2,11-3)12-4/h9-14H2,1-8H3/t17-/m0/s1.
What are the key properties of [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate?
[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate has a molecular weight of 332.56 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 58593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).