2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol

C23H34O4Si — CID 25259927

IUPAC2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(O)(CO)CO
InChIInChI=1S/C23H34O4Si/c1-19(15-23(26,17-24)18-25)16-27-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,24-26H,15-18H2,1-4H3/t19-/m1/s1
InChIKeyGJBZNQUYCVAIML-LJQANCHMSA-N
MW402.61 g/mol
LogP2.30
Rot. Bonds9

About 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol

2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol (PubChem CID 25259927) has the molecular formula C23H34O4Si and a molecular weight of 402.61 g/mol. Its IUPAC name is 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol.

Molecular Properties

Compound Name2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol
PubChem CID25259927
Molecular FormulaC23H34O4Si
Molecular Weight402.61 g/mol
Exact Mass402.22
IUPAC Name2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(O)(CO)CO
InChIInChI=1S/C23H34O4Si/c1-19(15-23(26,17-24)18-25)16-27-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,24-26H,15-18H2,1-4H3/t19-/m1/s1
InChIKeyGJBZNQUYCVAIML-LJQANCHMSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol?
The IUPAC name of 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol (CID 25259927) is 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol.
What is the SMILES notation for 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol?
The canonical SMILES for 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(O)(CO)CO.
What is the InChIKey of 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol?
The InChIKey is GJBZNQUYCVAIML-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34O4Si/c1-19(15-23(26,17-24)18-25)16-27-28(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,24-26H,15-18H2,1-4H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol?
2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-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 2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol is sourced from PubChem (CID 25259927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).