3,3-bis(ethenoxymethyl)oxetane

C9H14O3 — CID 25158284

IUPAC3,3-bis(ethenoxymethyl)oxetane
SMILESC=COCC1(COC=C)COC1
InChIInChI=1S/C9H14O3/c1-3-10-5-9(6-11-4-2)7-12-8-9/h3-4H,1-2,5-8H2
InChIKeyHOFHXVDIJXEBAV-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.32
Rot. Bonds6

About 3,3-bis(ethenoxymethyl)oxetane

3,3-bis(ethenoxymethyl)oxetane (PubChem CID 25158284) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3,3-bis(ethenoxymethyl)oxetane.

Molecular Properties

Compound Name3,3-bis(ethenoxymethyl)oxetane
PubChem CID25158284
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3,3-bis(ethenoxymethyl)oxetane
SMILESC=COCC1(COC=C)COC1
InChIInChI=1S/C9H14O3/c1-3-10-5-9(6-11-4-2)7-12-8-9/h3-4H,1-2,5-8H2
InChIKeyHOFHXVDIJXEBAV-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,3-bis(ethenoxymethyl)oxetane?
The IUPAC name of 3,3-bis(ethenoxymethyl)oxetane (CID 25158284) is 3,3-bis(ethenoxymethyl)oxetane.
What is the SMILES notation for 3,3-bis(ethenoxymethyl)oxetane?
The canonical SMILES for 3,3-bis(ethenoxymethyl)oxetane is C=COCC1(COC=C)COC1.
What is the InChIKey of 3,3-bis(ethenoxymethyl)oxetane?
The InChIKey is HOFHXVDIJXEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-10-5-9(6-11-4-2)7-12-8-9/h3-4H,1-2,5-8H2.
What are the key properties of 3,3-bis(ethenoxymethyl)oxetane?
3,3-bis(ethenoxymethyl)oxetane has a molecular weight of 170.21 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethenoxymethyl)oxetane is sourced from PubChem (CID 25158284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).