3-ethyl-3-methyloxetane

C6H11O+ — CID 135993267

IUPAC3-ethyl-3-methyloxetane
SMILES[CH2+]C1(CC)COC1
InChIInChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3/q+1
InChIKeyBJFVCGQGKLLBSO-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.25
Rot. Bonds1

About 3-ethyl-3-methyloxetane

3-ethyl-3-methyloxetane (PubChem CID 135993267) has the molecular formula C6H11O+ and a molecular weight of 99.15 g/mol. Its IUPAC name is 3-ethyl-3-methyloxetane.

Molecular Properties

Compound Name3-ethyl-3-methyloxetane
PubChem CID135993267
Molecular FormulaC6H11O+
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name3-ethyl-3-methyloxetane
SMILES[CH2+]C1(CC)COC1
InChIInChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3/q+1
InChIKeyBJFVCGQGKLLBSO-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxetane?
The IUPAC name of 3-ethyl-3-methyloxetane (CID 135993267) is 3-ethyl-3-methyloxetane.
What is the SMILES notation for 3-ethyl-3-methyloxetane?
The canonical SMILES for 3-ethyl-3-methyloxetane is [CH2+]C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-methyloxetane?
The InChIKey is BJFVCGQGKLLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3/q+1.
What are the key properties of 3-ethyl-3-methyloxetane?
3-ethyl-3-methyloxetane has a molecular weight of 99.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxetane is sourced from PubChem (CID 135993267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).