(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol

C21H30O3Si — CID 10904444

IUPAC(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C21H30O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17-,20-/m1/s1
InChIKeyMETJYGMUXLWHLT-YLJYHZDGSA-N
MW358.55 g/mol
LogP2.55
Rot. Bonds7

About (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol (PubChem CID 10904444) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
PubChem CID10904444
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C21H30O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17-,20-/m1/s1
InChIKeyMETJYGMUXLWHLT-YLJYHZDGSA-N
XLogP2.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 162404498
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol?
The IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol (CID 10904444) is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol?
The canonical SMILES for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol?
The InChIKey is METJYGMUXLWHLT-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17-,20-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol?
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol has a molecular weight of 358.55 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol is sourced from PubChem (CID 10904444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).