(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol

C22H30O4Si — CID 11047329

IUPAC(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol
SMILESCOC1C[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O4Si/c1-22(2,3)27(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-20-19(23)15-21(24-4)26-20/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20+,21?/m0/s1
InChIKeyAEDSCEUXZVLWFU-MCOCGALXSA-N
MW386.56 g/mol
LogP2.69
Rot. Bonds6

About (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol

(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol (PubChem CID 11047329) has the molecular formula C22H30O4Si and a molecular weight of 386.56 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol
PubChem CID11047329
Molecular FormulaC22H30O4Si
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol
SMILESCOC1C[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O4Si/c1-22(2,3)27(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-20-19(23)15-21(24-4)26-20/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20+,21?/m0/s1
InChIKeyAEDSCEUXZVLWFU-MCOCGALXSA-N
XLogP2.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
CID 161404652
tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane
CID 3288786
(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 11167004
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
(1R)-1-[(2S,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 101051153
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
1-O-(tert-Butyldiphenylsilyl)-2,3:5,6-di-O-isoproylidene-myo-inositol
CID 10074644

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol?
The IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol (CID 11047329) is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol is COC1C[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol?
The InChIKey is AEDSCEUXZVLWFU-MCOCGALXSA-N. The full InChI is InChI=1S/C22H30O4Si/c1-22(2,3)27(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-20-19(23)15-21(24-4)26-20/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20+,21?/m0/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol?
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol has a molecular weight of 386.56 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-ol is sourced from PubChem (CID 11047329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).