[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol

C14H30O3Si — CID 46933875

IUPAC[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]1O[C@H]1CO
InChIInChI=1S/C14H30O3Si/c1-10(8-12-13(9-15)16-12)11(2)17-18(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyQZTQXHAAGPVXGA-CYDGBPFRSA-N
MW274.48 g/mol
LogP3.18
Rot. Bonds6

About [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol (PubChem CID 46933875) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
PubChem CID46933875
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]1O[C@H]1CO
InChIInChI=1S/C14H30O3Si/c1-10(8-12-13(9-15)16-12)11(2)17-18(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyQZTQXHAAGPVXGA-CYDGBPFRSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
CID 14336220
3-(3-Methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 14967405
[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol
CID 15605934
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 54597457
[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 134842022
(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
CID 134855207
[(2R,3R)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931175
[(2S,3S)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931176

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol (CID 46933875) is [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol?
The InChIKey is QZTQXHAAGPVXGA-CYDGBPFRSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-10(8-12-13(9-15)16-12)11(2)17-18(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11-,12-,13-/m0/s1.
What are the key properties of [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol has a molecular weight of 274.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol is sourced from PubChem (CID 46933875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).