2-(2,3,5,6-tetramethylphenyl)oxirane

C12H16O — CID 82074918

IUPAC2-(2,3,5,6-tetramethylphenyl)oxirane
SMILESCc1cc(C)c(C)c(C2CO2)c1C
InChIInChI=1S/C12H16O/c1-7-5-8(2)10(4)12(9(7)3)11-6-13-11/h5,11H,6H2,1-4H3
InChIKeyHYUQEXBCKYYHIY-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.99
Rot. Bonds1

About 2-(2,3,5,6-tetramethylphenyl)oxirane

2-(2,3,5,6-tetramethylphenyl)oxirane (PubChem CID 82074918) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2,3,5,6-tetramethylphenyl)oxirane.

Molecular Properties

Compound Name2-(2,3,5,6-tetramethylphenyl)oxirane
PubChem CID82074918
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(2,3,5,6-tetramethylphenyl)oxirane
SMILESCc1cc(C)c(C)c(C2CO2)c1C
InChIInChI=1S/C12H16O/c1-7-5-8(2)10(4)12(9(7)3)11-6-13-11/h5,11H,6H2,1-4H3
InChIKeyHYUQEXBCKYYHIY-UHFFFAOYSA-N
XLogP2.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.99
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-(2,3,5,6-tetramethylphenyl)oxirane?
The IUPAC name of 2-(2,3,5,6-tetramethylphenyl)oxirane (CID 82074918) is 2-(2,3,5,6-tetramethylphenyl)oxirane.
What is the SMILES notation for 2-(2,3,5,6-tetramethylphenyl)oxirane?
The canonical SMILES for 2-(2,3,5,6-tetramethylphenyl)oxirane is Cc1cc(C)c(C)c(C2CO2)c1C.
What is the InChIKey of 2-(2,3,5,6-tetramethylphenyl)oxirane?
The InChIKey is HYUQEXBCKYYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-7-5-8(2)10(4)12(9(7)3)11-6-13-11/h5,11H,6H2,1-4H3.
What are the key properties of 2-(2,3,5,6-tetramethylphenyl)oxirane?
2-(2,3,5,6-tetramethylphenyl)oxirane has a molecular weight of 176.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetramethylphenyl)oxirane is sourced from PubChem (CID 82074918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).