2-methyl-2-phenyloxirane

C9H10O — CID 16398

IUPAC2-methyl-2-phenyloxirane
SMILESCC1(c2ccccc2)CO1
InChIInChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyMRXPNWXSFCODDY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.93
Rot. Bonds1

About 2-methyl-2-phenyloxirane

2-methyl-2-phenyloxirane (PubChem CID 16398) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-2-phenyloxirane.

Molecular Properties

Compound Name2-methyl-2-phenyloxirane
PubChem CID16398
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-methyl-2-phenyloxirane
SMILESCC1(c2ccccc2)CO1
InChIInChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyMRXPNWXSFCODDY-UHFFFAOYSA-N
XLogP1.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.93
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-methyl-2-phenyloxirane?
The IUPAC name of 2-methyl-2-phenyloxirane (CID 16398) is 2-methyl-2-phenyloxirane.
What is the SMILES notation for 2-methyl-2-phenyloxirane?
The canonical SMILES for 2-methyl-2-phenyloxirane is CC1(c2ccccc2)CO1.
What is the InChIKey of 2-methyl-2-phenyloxirane?
The InChIKey is MRXPNWXSFCODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-2-phenyloxirane?
2-methyl-2-phenyloxirane has a molecular weight of 134.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyloxirane is sourced from PubChem (CID 16398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).