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

C8H14O — CID 22160803

IUPAC2-methyl-2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(C)CCO1
InChIInChI=1S/C8H14O/c1-7(2)6-8(3)4-5-9-8/h1,4-6H2,2-3H3
InChIKeyNNRSEAWRNNUZDD-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

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

2-methyl-2-(2-methylprop-2-enyl)oxetane (PubChem CID 22160803) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enyl)oxetane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enyl)oxetane
PubChem CID22160803
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(C)CCO1
InChIInChI=1S/C8H14O/c1-7(2)6-8(3)4-5-9-8/h1,4-6H2,2-3H3
InChIKeyNNRSEAWRNNUZDD-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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-methyl-2-(2-methylprop-2-enyl)oxetane?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enyl)oxetane (CID 22160803) is 2-methyl-2-(2-methylprop-2-enyl)oxetane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enyl)oxetane?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enyl)oxetane is C=C(C)CC1(C)CCO1.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enyl)oxetane?
The InChIKey is NNRSEAWRNNUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)6-8(3)4-5-9-8/h1,4-6H2,2-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-2-enyl)oxetane?
2-methyl-2-(2-methylprop-2-enyl)oxetane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-2-enyl)oxetane is sourced from PubChem (CID 22160803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).