tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate

C16H32O4Si — CID 135002604

IUPACtert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(13(17)14(18)20-15(2,3)4)10-11-19-21(8,9)16(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyCTKKNHMBTLRINL-GFCCVEGCSA-N
MW316.51 g/mol
LogP3.95
Rot. Bonds6

About tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate

tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate (PubChem CID 135002604) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
PubChem CID135002604
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nametert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(13(17)14(18)20-15(2,3)4)10-11-19-21(8,9)16(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyCTKKNHMBTLRINL-GFCCVEGCSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101365194
tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate
CID 135003182
Dimethyl 3-acetyl-3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]pentanedioate
CID 57687983
Dimethyl 3-acetyl-3-(3-triethoxysilylpropoxy)pentanedioate
CID 57687990
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
CID 73323587
Ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
CID 87894585
Tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
tert-butyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpentanoate
CID 157923868
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 16220561
tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
CID 16755896
tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 135705245

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate?
The IUPAC name of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate (CID 135002604) is tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate.
What is the SMILES notation for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate?
The canonical SMILES for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate is C[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate?
The InChIKey is CTKKNHMBTLRINL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-12(13(17)14(18)20-15(2,3)4)10-11-19-21(8,9)16(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate?
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate has a molecular weight of 316.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate is sourced from PubChem (CID 135002604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).