2,2-dimethyl-3,3-diphenyloxirane

C16H16O — CID 2794963

IUPAC2,2-dimethyl-3,3-diphenyloxirane
SMILESCC1(C)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-15(2)16(17-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyWYQZQKVQBQLNDY-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.74
Rot. Bonds2

About 2,2-dimethyl-3,3-diphenyloxirane

2,2-dimethyl-3,3-diphenyloxirane (PubChem CID 2794963) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-dimethyl-3,3-diphenyloxirane.

Molecular Properties

Compound Name2,2-dimethyl-3,3-diphenyloxirane
PubChem CID2794963
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,2-dimethyl-3,3-diphenyloxirane
SMILESCC1(C)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-15(2)16(17-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyWYQZQKVQBQLNDY-UHFFFAOYSA-N
XLogP3.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-3,3-diphenyloxirane?
The IUPAC name of 2,2-dimethyl-3,3-diphenyloxirane (CID 2794963) is 2,2-dimethyl-3,3-diphenyloxirane.
What is the SMILES notation for 2,2-dimethyl-3,3-diphenyloxirane?
The canonical SMILES for 2,2-dimethyl-3,3-diphenyloxirane is CC1(C)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3,3-diphenyloxirane?
The InChIKey is WYQZQKVQBQLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-15(2)16(17-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 2,2-dimethyl-3,3-diphenyloxirane?
2,2-dimethyl-3,3-diphenyloxirane has a molecular weight of 224.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,3-diphenyloxirane is sourced from PubChem (CID 2794963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).