[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol

C14H30O3Si — CID 134967096

IUPAC[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESC[C@H](C1O[C@]1(C)CO)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-10(12-14(6,9-15)16-12)11(2)17-18(7,8)13(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12?,14+/m0/s1
InChIKeyNBZBFSLMWFKKKN-PPSDRIHMSA-N
MW274.48 g/mol
LogP3.18
Rot. Bonds5

About [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol

[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol (PubChem CID 134967096) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol
PubChem CID134967096
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESC[C@H](C1O[C@]1(C)CO)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-10(12-14(6,9-15)16-12)11(2)17-18(7,8)13(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12?,14+/m0/s1
InChIKeyNBZBFSLMWFKKKN-PPSDRIHMSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol with MolForge

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Launch Full Analysis

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
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
CID 46933875
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 54597457
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]butan-1-ol
CID 121003705
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol (CID 134967096) is [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol is C[C@H](C1O[C@]1(C)CO)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol?
The InChIKey is NBZBFSLMWFKKKN-PPSDRIHMSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-10(12-14(6,9-15)16-12)11(2)17-18(7,8)13(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12?,14+/m0/s1.
What are the key properties of [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol?
[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol has a molecular weight of 274.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 134967096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).