2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane

C14H20O — CID 83941458

IUPAC2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane
SMILESCc1cc(C)c(C)c(CCC2CO2)c1C
InChIInChI=1S/C14H20O/c1-9-7-10(2)12(4)14(11(9)3)6-5-13-8-15-13/h7,13H,5-6,8H2,1-4H3
InChIKeyAWQNGDMTJBZJFN-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.25
Rot. Bonds3

About 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane

2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane (PubChem CID 83941458) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane
PubChem CID83941458
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane
SMILESCc1cc(C)c(C)c(CCC2CO2)c1C
InChIInChI=1S/C14H20O/c1-9-7-10(2)12(4)14(11(9)3)6-5-13-8-15-13/h7,13H,5-6,8H2,1-4H3
InChIKeyAWQNGDMTJBZJFN-UHFFFAOYSA-N
XLogP3.25
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane (CID 83941458) is 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane is Cc1cc(C)c(C)c(CCC2CO2)c1C.
What is the InChIKey of 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane?
The InChIKey is AWQNGDMTJBZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-7-10(2)12(4)14(11(9)3)6-5-13-8-15-13/h7,13H,5-6,8H2,1-4H3.
What are the key properties of 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane?
2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane has a molecular weight of 204.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5,6-tetramethylphenyl)ethyl]oxirane is sourced from PubChem (CID 83941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).