(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol

C13H28O5Si — CID 134855207

IUPAC(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)CO
InChIInChI=1S/C13H28O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h9-11,14-16H,7-8H2,1-6H3/t9-,10+,11-,13-/m0/s1
InChIKeyHCCJEXDWMLRKAF-NOHGZBONSA-N
MW292.45 g/mol
LogP0.88
Rot. Bonds6

About (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol

(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol (PubChem CID 134855207) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
PubChem CID134855207
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)CO
InChIInChI=1S/C13H28O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h9-11,14-16H,7-8H2,1-6H3/t9-,10+,11-,13-/m0/s1
InChIKeyHCCJEXDWMLRKAF-NOHGZBONSA-N
XLogP0.88
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,4R)-2,3-Epoxy-4,5-bis(triisopropylsiloxy)-2-methylpent-1-ol
CID 11224982
(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
[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
CID 11811835
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol?
The IUPAC name of (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol (CID 134855207) is (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol.
What is the SMILES notation for (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol?
The canonical SMILES for (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol is CC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)CO.
What is the InChIKey of (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol?
The InChIKey is HCCJEXDWMLRKAF-NOHGZBONSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h9-11,14-16H,7-8H2,1-6H3/t9-,10+,11-,13-/m0/s1.
What are the key properties of (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol?
(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol has a molecular weight of 292.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol is sourced from PubChem (CID 134855207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).