(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol

C23H34O4Si — CID 162397807

IUPAC(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
SMILESC[C@@H]([C@H](O)CO)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34O4Si/c1-18(22(26)17-24)21(25)15-16-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22,24-26H,15-17H2,1-4H3/t18-,21+,22-/m1/s1
InChIKeyOHVWXQFQGVBJCC-BVYCBKJFSA-N
MW402.61 g/mol
LogP2.30
Rot. Bonds9

About (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol

(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol (PubChem CID 162397807) has the molecular formula C23H34O4Si and a molecular weight of 402.61 g/mol. Its IUPAC name is (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
PubChem CID162397807
Molecular FormulaC23H34O4Si
Molecular Weight402.61 g/mol
Exact Mass402.22
IUPAC Name(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
SMILESC[C@@H]([C@H](O)CO)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34O4Si/c1-18(22(26)17-24)21(25)15-16-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22,24-26H,15-17H2,1-4H3/t18-,21+,22-/m1/s1
InChIKeyOHVWXQFQGVBJCC-BVYCBKJFSA-N
XLogP2.30
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The IUPAC name of (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol (CID 162397807) is (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol.
What is the SMILES notation for (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The canonical SMILES for (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol is C[C@@H]([C@H](O)CO)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The InChIKey is OHVWXQFQGVBJCC-BVYCBKJFSA-N. The full InChI is InChI=1S/C23H34O4Si/c1-18(22(26)17-24)21(25)15-16-27-28(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22,24-26H,15-17H2,1-4H3/t18-,21+,22-/m1/s1.
What are the key properties of (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol?
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol has a molecular weight of 402.61 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol is sourced from PubChem (CID 162397807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).