tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate

C20H40O4Si — CID 135012524

IUPACtert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
SMILESCC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h12-18H,1-11H3/t16?,17-,18-/m1/s1
InChIKeyDBGJCKQYWBNPHA-UKKPGEIXSA-N
MW372.62 g/mol
LogP5.36
Rot. Bonds9

About tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate

tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate (PubChem CID 135012524) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
PubChem CID135012524
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Nametert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
SMILESCC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h12-18H,1-11H3/t16?,17-,18-/m1/s1
InChIKeyDBGJCKQYWBNPHA-UKKPGEIXSA-N
XLogP5.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate with MolForge

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Related Compounds

(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
1-O-butyl 5-O-methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 57615015
1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 58813334
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 75231714
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 87206557
5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 87206661
(4R)-2,4-dimethyl-5-oxo-3-triethylsilyloxypentanoic acid
CID 88044954

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate?
The IUPAC name of tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate (CID 135012524) is tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate?
The canonical SMILES for tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate is CC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate?
The InChIKey is DBGJCKQYWBNPHA-UKKPGEIXSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h12-18H,1-11H3/t16?,17-,18-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate?
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate has a molecular weight of 372.62 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate is sourced from PubChem (CID 135012524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).