[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol

C21H46O4Si2 — CID 11811835

IUPAC[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
SMILESCC(C)[Si](OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@]1(C)CO)(C(C)C)C(C)C
InChIInChI=1S/C21H46O4Si2/c1-15(2)27(16(3)4,17(5)6)23-13-18(19-21(10,14-22)24-19)25-26(11,12)20(7,8)9/h15-19,22H,13-14H2,1-12H3/t18-,19+,21+/m1/s1
InChIKeyDYRFMXMYOQYJIN-DYXWJJEUSA-N
MW418.77 g/mol
LogP5.72
Rot. Bonds10

About [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol

[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol (PubChem CID 11811835) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
PubChem CID11811835
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Name[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
SMILESCC(C)[Si](OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@]1(C)CO)(C(C)C)C(C)C
InChIInChI=1S/C21H46O4Si2/c1-15(2)27(16(3)4,17(5)6)23-13-18(19-21(10,14-22)24-19)25-26(11,12)20(7,8)9/h15-19,22H,13-14H2,1-12H3/t18-,19+,21+/m1/s1
InChIKeyDYRFMXMYOQYJIN-DYXWJJEUSA-N
XLogP5.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R,3R,4R)-2,3-Epoxy-4,5-bis(triisopropylsiloxy)-2-methylpent-1-ol
CID 11224982
[(2R,3R)-3-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]oxiran-2-yl]methanol
CID 11811227
[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
CID 14336220
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 54597457
(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-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol
CID 135022966
3-(2-Benzyloxyethyl)-2-methyloxirane-2-carbaldehyde
CID 145944155
(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol
CID 146162736
((2R,3R)-3-[2-(Tert-butyl-dimethyl-silanyloxy)-ethyl]-oxiranyl)-methanol
CID 11075299
[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]methanol
CID 11218528
((3R,4R,5R)-4-(triethylsilyloxy)-1,6-dioxaspiro[2.5]octan-5-yl)methanol
CID 58359314
CID 59137187
CID 59137187

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol (CID 11811835) is [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol is CC(C)[Si](OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@]1(C)CO)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol?
The InChIKey is DYRFMXMYOQYJIN-DYXWJJEUSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-15(2)27(16(3)4,17(5)6)23-13-18(19-21(10,14-22)24-19)25-26(11,12)20(7,8)9/h15-19,22H,13-14H2,1-12H3/t18-,19+,21+/m1/s1.
What are the key properties of [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol?
[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol has a molecular weight of 418.77 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 11811835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).