2-ethenoxyoxane

C7H12O2 — CID 11528345

IUPAC2-ethenoxyoxane
SMILESC=COC1CCCCO1
InChIInChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h2,7H,1,3-6H2
InChIKeyBYUNYALHUMSCSA-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds2

About 2-ethenoxyoxane

2-ethenoxyoxane (PubChem CID 11528345) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethenoxyoxane.

Molecular Properties

Compound Name2-ethenoxyoxane
PubChem CID11528345
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethenoxyoxane
SMILESC=COC1CCCCO1
InChIInChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h2,7H,1,3-6H2
InChIKeyBYUNYALHUMSCSA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 2-ethenoxyoxane?
The IUPAC name of 2-ethenoxyoxane (CID 11528345) is 2-ethenoxyoxane.
What is the SMILES notation for 2-ethenoxyoxane?
The canonical SMILES for 2-ethenoxyoxane is C=COC1CCCCO1.
What is the InChIKey of 2-ethenoxyoxane?
The InChIKey is BYUNYALHUMSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h2,7H,1,3-6H2.
What are the key properties of 2-ethenoxyoxane?
2-ethenoxyoxane has a molecular weight of 128.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyoxane is sourced from PubChem (CID 11528345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).