(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol

C25H34O5Si — CID 42597863

IUPAC(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H]2CO2)O1
InChIInChI=1S/C25H34O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23,26H,16-17H2,1-5H3/t20-,21+,22-,23-/m1/s1
InChIKeyVJYPYXAETOCSNS-KAOXLYBCSA-N
MW442.63 g/mol
LogP2.84
Rot. Bonds7

About (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 42597863) has the molecular formula C25H34O5Si and a molecular weight of 442.63 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol
PubChem CID42597863
Molecular FormulaC25H34O5Si
Molecular Weight442.63 g/mol
Exact Mass442.22
IUPAC Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H]2CO2)O1
InChIInChI=1S/C25H34O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23,26H,16-17H2,1-5H3/t20-,21+,22-,23-/m1/s1
InChIKeyVJYPYXAETOCSNS-KAOXLYBCSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol (CID 42597863) is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol is CC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H]2CO2)O1.
What is the InChIKey of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is VJYPYXAETOCSNS-KAOXLYBCSA-N. The full InChI is InChI=1S/C25H34O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20(26)22-23(21-17-27-21)30-25(4,5)29-22/h6-15,20-23,26H,16-17H2,1-5H3/t20-,21+,22-,23-/m1/s1.
What are the key properties of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol?
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 442.63 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 42597863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).