[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate

C19H38O4Si — CID 11078855

IUPAC[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
SMILESC[C@H](COC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O
InChIInChI=1S/C19H38O4Si/c1-14(11-12-20)16(23-24(9,10)19(6,7)8)15(2)13-22-17(21)18(3,4)5/h12,14-16H,11,13H2,1-10H3/t14-,15+,16-/m0/s1
InChIKeyGLMCQZDDCHEYAB-XHSDSOJGSA-N
MW358.60 g/mol
LogP4.83
Rot. Bonds8

About [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate

[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate (PubChem CID 11078855) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
PubChem CID11078855
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
SMILESC[C@H](COC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O
InChIInChI=1S/C19H38O4Si/c1-14(11-12-20)16(23-24(9,10)19(6,7)8)15(2)13-22-17(21)18(3,4)5/h12,14-16H,11,13H2,1-10H3/t14-,15+,16-/m0/s1
InChIKeyGLMCQZDDCHEYAB-XHSDSOJGSA-N
XLogP4.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.83
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 [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate
CID 134987536
3-[Propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 140613293
2-[Propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 164806253
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 173965366
(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 10335005
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
CID 10519630
[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
CID 10738933
methyl (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethylpropanoyloxy)-3,5-dimethylhexanoate
CID 10862053
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxohexyl] acetate
CID 10990313
(3S,4R,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
CID 10992749

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate (CID 11078855) is [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate is C[C@H](COC(=O)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O.
What is the InChIKey of [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate?
The InChIKey is GLMCQZDDCHEYAB-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-14(11-12-20)16(23-24(9,10)19(6,7)8)15(2)13-22-17(21)18(3,4)5/h12,14-16H,11,13H2,1-10H3/t14-,15+,16-/m0/s1.
What are the key properties of [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate?
[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate has a molecular weight of 358.60 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11078855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).