tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate

C15H32O4Si — CID 134996684

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H32O4Si/c1-13(2,3)18-12(16)11(15(7,8)17)19-20(9,10)14(4,5)6/h11,17H,1-10H3
InChIKeyOKDPNLBMTKZDIG-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate (PubChem CID 134996684) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate
PubChem CID134996684
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H32O4Si/c1-13(2,3)18-12(16)11(15(7,8)17)19-20(9,10)14(4,5)6/h11,17H,1-10H3
InChIKeyOKDPNLBMTKZDIG-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Butan-2-yloxycarbonyl-3,3,4,4,4-pentafluoro-2-trimethylsilyloxybutanoic acid
CID 156762045
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 73042975
ethyl (2S,3R)-2-hydroxy-3-tri(propan-2-yl)silyloxybutanoate
CID 101061536
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate
CID 134996947
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate
CID 135067868
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 135068104
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24741475
3-[Tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
CID 57296730
(S)-2-(tert-butyldimethylsilyloxy)-3-methoxypropanoic acid
CID 57504586
(S)-2-(tert-butyldimethylsilyloxy)-3-isopropoxypropanoic acid
CID 57504592
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-methoxypropoxy]propanoic acid
CID 57504635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate (CID 134996684) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate is CC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate?
The InChIKey is OKDPNLBMTKZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-13(2,3)18-12(16)11(15(7,8)17)19-20(9,10)14(4,5)6/h11,17H,1-10H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate has a molecular weight of 304.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 134996684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).