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

C22H30O3Si — CID 58521398

IUPAC(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol
SMILESCC1C[C@H](O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O3Si/c1-17-15-20(23)21(25-17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,23H,15-16H2,1-4H3/t17?,20-,21-/m0/s1
InChIKeySNHOOALXOXLWMH-FUKGKQRISA-N
MW370.56 g/mol
LogP3.10
Rot. Bonds5

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

(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol (PubChem CID 58521398) has the molecular formula C22H30O3Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol
PubChem CID58521398
Molecular FormulaC22H30O3Si
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol
SMILESCC1C[C@H](O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O3Si/c1-17-15-20(23)21(25-17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,23H,15-16H2,1-4H3/t17?,20-,21-/m0/s1
InChIKeySNHOOALXOXLWMH-FUKGKQRISA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
((2R,3S)-3-(tert-butyldiphenylsilyloxy)-2,3-dihydrofuran-2-yl)methanol
CID 11100322
1,4-anhydro-5-O-(t-butyldiphenylsilyl)-2-deoxy-d-erythro-pent-1-enitol
CID 11314226
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol
CID 357857
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 11167004
(2R)-1-(tert-Butyldiphenylsilyloxy)-2-hydroxy-hex-1-ene
CID 11279685
tert-butyl-[(2S,3S,5R)-5-[(2R)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
CID 11305198
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
CID 15249300
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 162405784
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol?
The IUPAC name of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol (CID 58521398) is (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol?
The canonical SMILES for (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol is CC1C[C@H](O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol?
The InChIKey is SNHOOALXOXLWMH-FUKGKQRISA-N. The full InChI is InChI=1S/C22H30O3Si/c1-17-15-20(23)21(25-17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,23H,15-16H2,1-4H3/t17?,20-,21-/m0/s1.
What are the key properties of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol?
(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol has a molecular weight of 370.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol is sourced from PubChem (CID 58521398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).