(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol

C25H34O4Si — CID 102426988

IUPAC(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H]1C[C@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)28-18-24-23(29-24)17-22-21(26)15-10-16-27-22/h4-9,11-14,21-24,26H,10,15-18H2,1-3H3/t21-,22+,23+,24+/m0/s1
InChIKeyOJIRGROPNBUKIU-OLKYXYMISA-N
MW426.63 g/mol
LogP3.26
Rot. Bonds7

About (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol

(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol (PubChem CID 102426988) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
PubChem CID102426988
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H]1C[C@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)28-18-24-23(29-24)17-22-21(26)15-10-16-27-22/h4-9,11-14,21-24,26H,10,15-18H2,1-3H3/t21-,22+,23+,24+/m0/s1
InChIKeyOJIRGROPNBUKIU-OLKYXYMISA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.26
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

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(1S)-1-[(3aR,7aS)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]ethanol
CID 135010313
(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10646782
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2R,3S)-2-[(7S)-8-[tert-butyl(diphenyl)silyl]oxy-7-hydroxy-5-methoxy-2-methylideneoct-3-ynyl]oxan-3-ol
CID 11083332
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol (CID 102426988) is (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol is CC(C)(C)[Si](OC[C@H]1O[C@@H]1C[C@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol?
The InChIKey is OJIRGROPNBUKIU-OLKYXYMISA-N. The full InChI is InChI=1S/C25H34O4Si/c1-25(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)28-18-24-23(29-24)17-22-21(26)15-10-16-27-22/h4-9,11-14,21-24,26H,10,15-18H2,1-3H3/t21-,22+,23+,24+/m0/s1.
What are the key properties of (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol?
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol has a molecular weight of 426.63 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol is sourced from PubChem (CID 102426988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).