(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol

C31H38O3Si2 — CID 134930979

IUPAC(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@]1(C#C[Si](C)(C)C)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3Si2/c1-30(2,3)36(26-18-12-8-13-19-26,27-20-14-9-15-21-27)33-24-28-31(34-28,22-23-35(4,5)6)29(32)25-16-10-7-11-17-25/h7-21,28-29,32H,24H2,1-6H3/t28-,29-,31+/m1/s1
InChIKeyZEBNNTMMVBQWRR-XQKNLLDYSA-N
MW514.81 g/mol
LogP5.32
Rot. Bonds7

About (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol

(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol (PubChem CID 134930979) has the molecular formula C31H38O3Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol
PubChem CID134930979
Molecular FormulaC31H38O3Si2
Molecular Weight514.81 g/mol
Exact Mass514.24
IUPAC Name(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@]1(C#C[Si](C)(C)C)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3Si2/c1-30(2,3)36(26-18-12-8-13-19-26,27-20-14-9-15-21-27)33-24-28-31(34-28,22-23-35(4,5)6)29(32)25-16-10-7-11-17-25/h7-21,28-29,32H,24H2,1-6H3/t28-,29-,31+/m1/s1
InChIKeyZEBNNTMMVBQWRR-XQKNLLDYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.81
LogP ≤ 55.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 122366240
3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
[(2S,3S)-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-(bromomethyl)-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 102388175
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
[(2S,3S,5R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 91510832

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol (CID 134930979) is (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol is CC(C)(C)[Si](OC[C@H]1O[C@]1(C#C[Si](C)(C)C)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol?
The InChIKey is ZEBNNTMMVBQWRR-XQKNLLDYSA-N. The full InChI is InChI=1S/C31H38O3Si2/c1-30(2,3)36(26-18-12-8-13-19-26,27-20-14-9-15-21-27)33-24-28-31(34-28,22-23-35(4,5)6)29(32)25-16-10-7-11-17-25/h7-21,28-29,32H,24H2,1-6H3/t28-,29-,31+/m1/s1.
What are the key properties of (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol?
(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol has a molecular weight of 514.81 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol is sourced from PubChem (CID 134930979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).