3-ethenoxyoxane

C7H12O2 — CID 176604987

IUPAC3-ethenoxyoxane
SMILESC=COC1CCCOC1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-5-8-6-7/h2,7H,1,3-6H2
InChIKeyKKEPKNOXSTZSLZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds2

About 3-ethenoxyoxane

3-ethenoxyoxane (PubChem CID 176604987) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethenoxyoxane.

Molecular Properties

Compound Name3-ethenoxyoxane
PubChem CID176604987
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-ethenoxyoxane
SMILESC=COC1CCCOC1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-5-8-6-7/h2,7H,1,3-6H2
InChIKeyKKEPKNOXSTZSLZ-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 3-ethenoxyoxane?
The IUPAC name of 3-ethenoxyoxane (CID 176604987) is 3-ethenoxyoxane.
What is the SMILES notation for 3-ethenoxyoxane?
The canonical SMILES for 3-ethenoxyoxane is C=COC1CCCOC1.
What is the InChIKey of 3-ethenoxyoxane?
The InChIKey is KKEPKNOXSTZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-9-7-4-3-5-8-6-7/h2,7H,1,3-6H2.
What are the key properties of 3-ethenoxyoxane?
3-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 3-ethenoxyoxane is sourced from PubChem (CID 176604987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).