2-phenyl-3-(trityloxymethyl)oxirane

C28H24O2 — CID 23443485

IUPAC2-phenyl-3-(trityloxymethyl)oxirane
SMILESc1ccc(C2OC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2/c1-5-13-22(14-6-1)27-26(30-27)21-29-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyWTUWKFIGYWFQHW-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.14
Rot. Bonds7

About 2-phenyl-3-(trityloxymethyl)oxirane

2-phenyl-3-(trityloxymethyl)oxirane (PubChem CID 23443485) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-phenyl-3-(trityloxymethyl)oxirane.

Molecular Properties

Compound Name2-phenyl-3-(trityloxymethyl)oxirane
PubChem CID23443485
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name2-phenyl-3-(trityloxymethyl)oxirane
SMILESc1ccc(C2OC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2/c1-5-13-22(14-6-1)27-26(30-27)21-29-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyWTUWKFIGYWFQHW-UHFFFAOYSA-N
XLogP6.14
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.14
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

2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
CID 141414590
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
CID 171123594
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trityloxymethyl)oxirane?
The IUPAC name of 2-phenyl-3-(trityloxymethyl)oxirane (CID 23443485) is 2-phenyl-3-(trityloxymethyl)oxirane.
What is the SMILES notation for 2-phenyl-3-(trityloxymethyl)oxirane?
The canonical SMILES for 2-phenyl-3-(trityloxymethyl)oxirane is c1ccc(C2OC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-(trityloxymethyl)oxirane?
The InChIKey is WTUWKFIGYWFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-5-13-22(14-6-1)27-26(30-27)21-29-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2.
What are the key properties of 2-phenyl-3-(trityloxymethyl)oxirane?
2-phenyl-3-(trityloxymethyl)oxirane has a molecular weight of 392.50 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trityloxymethyl)oxirane is sourced from PubChem (CID 23443485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).