2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane

C16H24O — CID 83928273

IUPAC2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
SMILESCCC1OC1CC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-6-14-15(17-14)9-13(5)16-11(3)7-10(2)8-12(16)4/h7-8,13-15H,6,9H2,1-5H3
InChIKeyWCOOMCLCFSIQEE-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.28
Rot. Bonds4

About 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane

2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane (PubChem CID 83928273) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
PubChem CID83928273
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
SMILESCCC1OC1CC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-6-14-15(17-14)9-13(5)16-11(3)7-10(2)8-12(16)4/h7-8,13-15H,6,9H2,1-5H3
InChIKeyWCOOMCLCFSIQEE-UHFFFAOYSA-N
XLogP4.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.28
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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Related Compounds

2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane
CID 83928064
2-[2-(3,5-dimethylphenyl)butyl]-3-ethyloxirane
CID 83922415
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
CID 83940144
4-[1-(3-ethyloxiran-2-yl)butan-2-yl]-3,5-dimethylphenol
CID 83923505
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-[2-(4,5-diethoxy-2-fluorophenyl)propyl]-3-ethyloxirane
CID 83923153
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
2-ethyl-3-[2-(2-fluoro-4,5-dimethylphenyl)butyl]oxirane
CID 83931680
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane?
The IUPAC name of 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane (CID 83928273) is 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane?
The canonical SMILES for 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane is CCC1OC1CC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane?
The InChIKey is WCOOMCLCFSIQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-6-14-15(17-14)9-13(5)16-11(3)7-10(2)8-12(16)4/h7-8,13-15H,6,9H2,1-5H3.
What are the key properties of 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane?
2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane has a molecular weight of 232.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane is sourced from PubChem (CID 83928273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).