2-ethenyl-2-methyl-3-phenyloxirane

C11H12O — CID 12508185

IUPAC2-ethenyl-2-methyl-3-phenyloxirane
SMILESC=CC1(C)OC1c1ccccc1
InChIInChI=1S/C11H12O/c1-3-11(2)10(12-11)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3
InChIKeyHWGWTQSIZJOLDZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.70
Rot. Bonds2

About 2-ethenyl-2-methyl-3-phenyloxirane

2-ethenyl-2-methyl-3-phenyloxirane (PubChem CID 12508185) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-3-phenyloxirane.

Molecular Properties

Compound Name2-ethenyl-2-methyl-3-phenyloxirane
PubChem CID12508185
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-ethenyl-2-methyl-3-phenyloxirane
SMILESC=CC1(C)OC1c1ccccc1
InChIInChI=1S/C11H12O/c1-3-11(2)10(12-11)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3
InChIKeyHWGWTQSIZJOLDZ-UHFFFAOYSA-N
XLogP2.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
alpha-Methylbenzyl formate
CID 346286
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-3-phenyloxirane?
The IUPAC name of 2-ethenyl-2-methyl-3-phenyloxirane (CID 12508185) is 2-ethenyl-2-methyl-3-phenyloxirane.
What is the SMILES notation for 2-ethenyl-2-methyl-3-phenyloxirane?
The canonical SMILES for 2-ethenyl-2-methyl-3-phenyloxirane is C=CC1(C)OC1c1ccccc1.
What is the InChIKey of 2-ethenyl-2-methyl-3-phenyloxirane?
The InChIKey is HWGWTQSIZJOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-11(2)10(12-11)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3.
What are the key properties of 2-ethenyl-2-methyl-3-phenyloxirane?
2-ethenyl-2-methyl-3-phenyloxirane has a molecular weight of 160.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-3-phenyloxirane is sourced from PubChem (CID 12508185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).