[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C23H32O4Si — CID 10408712

IUPAC[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1
InChIKeyXMXUBCUCCBZXQX-SFTDATJTSA-N
MW400.59 g/mol
LogP3.08
Rot. Bonds6

About [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10408712) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID10408712
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1
InChIKeyXMXUBCUCCBZXQX-SFTDATJTSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.08
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

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
((2R,3S)-3-(tert-butyldiphenylsilyloxy)-2,3-dihydrofuran-2-yl)methanol
CID 11100322
(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
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
(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
1-O-(tert-Butyldiphenylsilyl)-2,3:5,6-di-O-isoproylidene-myo-inositol
CID 10074644
(3R)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,3-diol
CID 10472701

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 10408712) is [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is XMXUBCUCCBZXQX-SFTDATJTSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1.
What are the key properties of [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 400.59 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10408712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).