tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate

C18H36O4Si — CID 135003182

IUPACtert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate
SMILESCC(C)[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)14(15(19)16(20)22-17(3,4)5)11-12-21-23(9,10)18(6,7)8/h13-14H,11-12H2,1-10H3/t14-/m0/s1
InChIKeyBCIUJUOUTLAHCT-AWEZNQCLSA-N
MW344.57 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate

tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate (PubChem CID 135003182) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate
PubChem CID135003182
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate
SMILESCC(C)[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)14(15(19)16(20)22-17(3,4)5)11-12-21-23(9,10)18(6,7)8/h13-14H,11-12H2,1-10H3/t14-/m0/s1
InChIKeyBCIUJUOUTLAHCT-AWEZNQCLSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.58
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

tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
CID 135002604
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 (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 135705245

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate?
The IUPAC name of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate (CID 135003182) is tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate.
What is the SMILES notation for tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate?
The canonical SMILES for tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate is CC(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 (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate?
The InChIKey is BCIUJUOUTLAHCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13(2)14(15(19)16(20)22-17(3,4)5)11-12-21-23(9,10)18(6,7)8/h13-14H,11-12H2,1-10H3/t14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate?
tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate has a molecular weight of 344.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate is sourced from PubChem (CID 135003182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).