4-ethenoxyoxane

C7H12O2 — CID 66368417

IUPAC4-ethenoxyoxane
SMILESC=COC1CCOCC1
InChIInChI=1S/C7H12O2/c1-2-9-7-3-5-8-6-4-7/h2,7H,1,3-6H2
InChIKeyRMMLYPVKWDREEV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds2

About 4-ethenoxyoxane

4-ethenoxyoxane (PubChem CID 66368417) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-ethenoxyoxane.

Molecular Properties

Compound Name4-ethenoxyoxane
PubChem CID66368417
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-ethenoxyoxane
SMILESC=COC1CCOCC1
InChIInChI=1S/C7H12O2/c1-2-9-7-3-5-8-6-4-7/h2,7H,1,3-6H2
InChIKeyRMMLYPVKWDREEV-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
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 4-ethenoxyoxane?
The IUPAC name of 4-ethenoxyoxane (CID 66368417) is 4-ethenoxyoxane.
What is the SMILES notation for 4-ethenoxyoxane?
The canonical SMILES for 4-ethenoxyoxane is C=COC1CCOCC1.
What is the InChIKey of 4-ethenoxyoxane?
The InChIKey is RMMLYPVKWDREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-9-7-3-5-8-6-4-7/h2,7H,1,3-6H2.
What are the key properties of 4-ethenoxyoxane?
4-ethenoxyoxane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxyoxane is sourced from PubChem (CID 66368417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).