(2S)-2-trityloxyoxirane

C21H18O2 — CID 142635645

IUPAC(2S)-2-trityloxyoxirane
SMILESc1ccc(C(O[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-4-10-17(11-5-1)21(23-20-16-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/t20-/m0/s1
InChIKeyLPAIANAAMZWGDJ-FQEVSTJZSA-N
MW302.37 g/mol
LogP4.35
Rot. Bonds5

About (2S)-2-trityloxyoxirane

(2S)-2-trityloxyoxirane (PubChem CID 142635645) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-trityloxyoxirane.

Molecular Properties

Compound Name(2S)-2-trityloxyoxirane
PubChem CID142635645
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2S)-2-trityloxyoxirane
SMILESc1ccc(C(O[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-4-10-17(11-5-1)21(23-20-16-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/t20-/m0/s1
InChIKeyLPAIANAAMZWGDJ-FQEVSTJZSA-N
XLogP4.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-oxo-5-trityloxyoxolane-3-carboxylate
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(2R)-2-(2-trityloxyethoxymethyl)oxirane
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-trityloxyoxirane?
The IUPAC name of (2S)-2-trityloxyoxirane (CID 142635645) is (2S)-2-trityloxyoxirane.
What is the SMILES notation for (2S)-2-trityloxyoxirane?
The canonical SMILES for (2S)-2-trityloxyoxirane is c1ccc(C(O[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-trityloxyoxirane?
The InChIKey is LPAIANAAMZWGDJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18O2/c1-4-10-17(11-5-1)21(23-20-16-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/t20-/m0/s1.
What are the key properties of (2S)-2-trityloxyoxirane?
(2S)-2-trityloxyoxirane has a molecular weight of 302.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-trityloxyoxirane is sourced from PubChem (CID 142635645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).