2-benzyl-2-(2-benzyloxiran-2-yl)oxirane

C18H18O2 — CID 174859791

IUPAC2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
SMILESc1ccc(CC2(C3(Cc4ccccc4)CO3)CO2)cc1
InChIInChI=1S/C18H18O2/c1-3-7-15(8-4-1)11-17(13-19-17)18(14-20-18)12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJAJRQXFSFSUMDG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.01
Rot. Bonds5

About 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane

2-benzyl-2-(2-benzyloxiran-2-yl)oxirane (PubChem CID 174859791) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane.

Molecular Properties

Compound Name2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
PubChem CID174859791
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
SMILESc1ccc(CC2(C3(Cc4ccccc4)CO3)CO2)cc1
InChIInChI=1S/C18H18O2/c1-3-7-15(8-4-1)11-17(13-19-17)18(14-20-18)12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJAJRQXFSFSUMDG-UHFFFAOYSA-N
XLogP3.01
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.01
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-benzyl-2-(2-benzyloxiran-2-yl)oxirane?
The IUPAC name of 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane (CID 174859791) is 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane.
What is the SMILES notation for 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane?
The canonical SMILES for 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane is c1ccc(CC2(C3(Cc4ccccc4)CO3)CO2)cc1.
What is the InChIKey of 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane?
The InChIKey is JAJRQXFSFSUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-7-15(8-4-1)11-17(13-19-17)18(14-20-18)12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane?
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane has a molecular weight of 266.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(2-benzyloxiran-2-yl)oxirane is sourced from PubChem (CID 174859791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).