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

C16H34O4Si — CID 11652646

IUPACtert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
SMILESCC(C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-11(2)12(17)13(14(18)19-15(3,4)5)20-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m1/s1
InChIKeyOJKCBXOGTBKPET-CHWSQXEVSA-N
MW318.53 g/mol
LogP3.74
Rot. Bonds5

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

tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate (PubChem CID 11652646) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
PubChem CID11652646
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Nametert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
SMILESCC(C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-11(2)12(17)13(14(18)19-15(3,4)5)20-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m1/s1
InChIKeyOJKCBXOGTBKPET-CHWSQXEVSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.74
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 (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
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
[2-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
CID 10544588
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
(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
Ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate
CID 91155698
2,3-Dihydroxypropanoyl 2-hydroxy-2-(hydroxymethyl)-4-methylpentanoate
CID 139823854

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate?
The IUPAC name of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate (CID 11652646) is tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate.
What is the SMILES notation for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate?
The canonical SMILES for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate is CC(C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate?
The InChIKey is OJKCBXOGTBKPET-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-11(2)12(17)13(14(18)19-15(3,4)5)20-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate?
tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate has a molecular weight of 318.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate is sourced from PubChem (CID 11652646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).