2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane

C31H28O2 — CID 174690179

IUPAC2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane
SMILESc1ccc(C(CC2CO2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C2CO2)cc1
InChIInChI=1S/C31H28O2/c1-5-13-24(14-6-1)30(21-28-22-32-28,25-15-7-2-8-16-25)31(29-23-33-29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2
InChIKeyOMLLTTAOTLHDEO-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.15
Rot. Bonds8

About 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane

2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane (PubChem CID 174690179) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane.

Molecular Properties

Compound Name2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane
PubChem CID174690179
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane
SMILESc1ccc(C(CC2CO2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C2CO2)cc1
InChIInChI=1S/C31H28O2/c1-5-13-24(14-6-1)30(21-28-22-32-28,25-15-7-2-8-16-25)31(29-23-33-29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2
InChIKeyOMLLTTAOTLHDEO-UHFFFAOYSA-N
XLogP6.15
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane?
The IUPAC name of 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane (CID 174690179) is 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane.
What is the SMILES notation for 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane?
The canonical SMILES for 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane is c1ccc(C(CC2CO2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C2CO2)cc1.
What is the InChIKey of 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane?
The InChIKey is OMLLTTAOTLHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O2/c1-5-13-24(14-6-1)30(21-28-22-32-28,25-15-7-2-8-16-25)31(29-23-33-29,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2.
What are the key properties of 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane?
2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane has a molecular weight of 432.56 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane is sourced from PubChem (CID 174690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).