tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate

C17H36O4Si — CID 135067868

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate
SMILESCC(C)C(C)(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36O4Si/c1-12(2)17(9,19)13(14(18)20-15(3,4)5)21-22(10,11)16(6,7)8/h12-13,19H,1-11H3
InChIKeyPFMZVYZCZYSADC-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate (PubChem CID 135067868) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate
PubChem CID135067868
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate
SMILESCC(C)C(C)(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36O4Si/c1-12(2)17(9,19)13(14(18)20-15(3,4)5)21-22(10,11)16(6,7)8/h12-13,19H,1-11H3
InChIKeyPFMZVYZCZYSADC-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.13
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

Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 73042975
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate
CID 134996684
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-methyloctanoate
CID 135069748
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
CID 16757387
(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
2-[2-[Tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid
CID 73324175
3-[Dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 87089834
3-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 87089835
(1-Oxo-1-pentan-3-yloxypropan-2-yl) 3-ethyl-3-hydroxy-2-methylpentanoate
CID 89335143
Dipropan-2-yl 2-hydroxy-2-methyl-3-propan-2-yl-3-silylbutanedioate
CID 173840834
tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 11652646

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate (CID 135067868) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate is CC(C)C(C)(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate?
The InChIKey is PFMZVYZCZYSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-12(2)17(9,19)13(14(18)20-15(3,4)5)21-22(10,11)16(6,7)8/h12-13,19H,1-11H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate has a molecular weight of 332.56 g/mol, XLogP of 4.13, 5 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-3,4-dimethylpentanoate is sourced from PubChem (CID 135067868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).