3-ethenyloxane

C7H12O — CID 21437440

IUPAC3-ethenyloxane
SMILESC=CC1CCCOC1
InChIInChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h2,7H,1,3-6H2
InChIKeyWHPAXOUOPSCIKG-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds1

About 3-ethenyloxane

3-ethenyloxane (PubChem CID 21437440) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-ethenyloxane.

Molecular Properties

Compound Name3-ethenyloxane
PubChem CID21437440
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-ethenyloxane
SMILESC=CC1CCCOC1
InChIInChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h2,7H,1,3-6H2
InChIKeyWHPAXOUOPSCIKG-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyloxane?
The IUPAC name of 3-ethenyloxane (CID 21437440) is 3-ethenyloxane.
What is the SMILES notation for 3-ethenyloxane?
The canonical SMILES for 3-ethenyloxane is C=CC1CCCOC1.
What is the InChIKey of 3-ethenyloxane?
The InChIKey is WHPAXOUOPSCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h2,7H,1,3-6H2.
What are the key properties of 3-ethenyloxane?
3-ethenyloxane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxane is sourced from PubChem (CID 21437440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).