3-(2-ethylphenyl)-3-methyldioxirane

C10H12O2 — CID 140599569

IUPAC3-(2-ethylphenyl)-3-methyldioxirane
SMILESCCc1ccccc1C1(C)OO1
InChIInChI=1S/C10H12O2/c1-3-8-6-4-5-7-9(8)10(2)11-12-10/h4-7H,3H2,1-2H3
InChIKeyBSHFGHJEVYTABF-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.38
Rot. Bonds2

About 3-(2-ethylphenyl)-3-methyldioxirane

3-(2-ethylphenyl)-3-methyldioxirane (PubChem CID 140599569) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-3-methyldioxirane.

Molecular Properties

Compound Name3-(2-ethylphenyl)-3-methyldioxirane
PubChem CID140599569
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-(2-ethylphenyl)-3-methyldioxirane
SMILESCCc1ccccc1C1(C)OO1
InChIInChI=1S/C10H12O2/c1-3-8-6-4-5-7-9(8)10(2)11-12-10/h4-7H,3H2,1-2H3
InChIKeyBSHFGHJEVYTABF-UHFFFAOYSA-N
XLogP2.38
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
1-ethyl-2-(1-methylcyclohexyl)benzene
CID 71388043
1,2-diethylbenzene;hydrobromide
CID 174973685
2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
CID 143140555
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
[4-(2-ethylphenyl)oxan-4-yl]methanamine
CID 83822192
4-ethyl-1,1-dimethylindene
CID 174783875
1-ethyl-2-(1-phenylcyclohexyl)benzene
CID 173103892
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine
CID 155154651
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-3-methyldioxirane?
The IUPAC name of 3-(2-ethylphenyl)-3-methyldioxirane (CID 140599569) is 3-(2-ethylphenyl)-3-methyldioxirane.
What is the SMILES notation for 3-(2-ethylphenyl)-3-methyldioxirane?
The canonical SMILES for 3-(2-ethylphenyl)-3-methyldioxirane is CCc1ccccc1C1(C)OO1.
What is the InChIKey of 3-(2-ethylphenyl)-3-methyldioxirane?
The InChIKey is BSHFGHJEVYTABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-6-4-5-7-9(8)10(2)11-12-10/h4-7H,3H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-3-methyldioxirane?
3-(2-ethylphenyl)-3-methyldioxirane has a molecular weight of 164.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-3-methyldioxirane is sourced from PubChem (CID 140599569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).