3-ethenoxy-3-methyloxetane

C6H10O2 — CID 118482943

IUPAC3-ethenoxy-3-methyloxetane
SMILESC=COC1(C)COC1
InChIInChI=1S/C6H10O2/c1-3-8-6(2)4-7-5-6/h3H,1,4-5H2,2H3
InChIKeyKDZBDSGHVPENMC-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds2

About 3-ethenoxy-3-methyloxetane

3-ethenoxy-3-methyloxetane (PubChem CID 118482943) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-ethenoxy-3-methyloxetane.

Molecular Properties

Compound Name3-ethenoxy-3-methyloxetane
PubChem CID118482943
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-ethenoxy-3-methyloxetane
SMILESC=COC1(C)COC1
InChIInChI=1S/C6H10O2/c1-3-8-6(2)4-7-5-6/h3H,1,4-5H2,2H3
InChIKeyKDZBDSGHVPENMC-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-3-methyloxetane?
The IUPAC name of 3-ethenoxy-3-methyloxetane (CID 118482943) is 3-ethenoxy-3-methyloxetane.
What is the SMILES notation for 3-ethenoxy-3-methyloxetane?
The canonical SMILES for 3-ethenoxy-3-methyloxetane is C=COC1(C)COC1.
What is the InChIKey of 3-ethenoxy-3-methyloxetane?
The InChIKey is KDZBDSGHVPENMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-8-6(2)4-7-5-6/h3H,1,4-5H2,2H3.
What are the key properties of 3-ethenoxy-3-methyloxetane?
3-ethenoxy-3-methyloxetane has a molecular weight of 114.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-3-methyloxetane is sourced from PubChem (CID 118482943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).