2-(2-methylprop-2-enyl)oxetane

C7H12O — CID 90753234

IUPAC2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1CCO1
InChIInChI=1S/C7H12O/c1-6(2)5-7-3-4-8-7/h7H,1,3-5H2,2H3
InChIKeyOFNGYALDUHWNEG-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds2

About 2-(2-methylprop-2-enyl)oxetane

2-(2-methylprop-2-enyl)oxetane (PubChem CID 90753234) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)oxetane.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)oxetane
PubChem CID90753234
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1CCO1
InChIInChI=1S/C7H12O/c1-6(2)5-7-3-4-8-7/h7H,1,3-5H2,2H3
InChIKeyOFNGYALDUHWNEG-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)oxetane?
The IUPAC name of 2-(2-methylprop-2-enyl)oxetane (CID 90753234) is 2-(2-methylprop-2-enyl)oxetane.
What is the SMILES notation for 2-(2-methylprop-2-enyl)oxetane?
The canonical SMILES for 2-(2-methylprop-2-enyl)oxetane is C=C(C)CC1CCO1.
What is the InChIKey of 2-(2-methylprop-2-enyl)oxetane?
The InChIKey is OFNGYALDUHWNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)5-7-3-4-8-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)oxetane?
2-(2-methylprop-2-enyl)oxetane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)oxetane is sourced from PubChem (CID 90753234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).