2-benzyl-2-methyloxirane

C10H12O — CID 10997197

IUPAC2-benzyl-2-methyloxirane
SMILESCC1(Cc2ccccc2)CO1
InChIInChI=1S/C10H12O/c1-10(8-11-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyHXDOYMSDQUBFHJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.02
Rot. Bonds2

About 2-benzyl-2-methyloxirane

2-benzyl-2-methyloxirane (PubChem CID 10997197) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-benzyl-2-methyloxirane.

Molecular Properties

Compound Name2-benzyl-2-methyloxirane
PubChem CID10997197
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-benzyl-2-methyloxirane
SMILESCC1(Cc2ccccc2)CO1
InChIInChI=1S/C10H12O/c1-10(8-11-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyHXDOYMSDQUBFHJ-UHFFFAOYSA-N
XLogP2.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.02
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-benzyl-2-methyloxirane?
The IUPAC name of 2-benzyl-2-methyloxirane (CID 10997197) is 2-benzyl-2-methyloxirane.
What is the SMILES notation for 2-benzyl-2-methyloxirane?
The canonical SMILES for 2-benzyl-2-methyloxirane is CC1(Cc2ccccc2)CO1.
What is the InChIKey of 2-benzyl-2-methyloxirane?
The InChIKey is HXDOYMSDQUBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-10(8-11-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-benzyl-2-methyloxirane?
2-benzyl-2-methyloxirane has a molecular weight of 148.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyloxirane is sourced from PubChem (CID 10997197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).