1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane

C16H24O2 — CID 87246121

IUPAC1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC12CCCCC1O2.C=CC1CCC2OC2C1
InChIInChI=1S/2C8H12O/c1-2-6-3-4-7-8(5-6)9-7;1-2-8-6-4-3-5-7(8)9-8/h2,6-8H,1,3-5H2;2,7H,1,3-6H2
InChIKeyABKAVCFPZAEGKI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.62
Rot. Bonds2

About 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane

1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 87246121) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane
PubChem CID87246121
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC12CCCCC1O2.C=CC1CCC2OC2C1
InChIInChI=1S/2C8H12O/c1-2-6-3-4-7-8(5-6)9-7;1-2-8-6-4-3-5-7(8)9-8/h2,6-8H,1,3-5H2;2,7H,1,3-6H2
InChIKeyABKAVCFPZAEGKI-UHFFFAOYSA-N
XLogP3.62
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane (CID 87246121) is 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane is C=CC12CCCCC1O2.C=CC1CCC2OC2C1.
What is the InChIKey of 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ABKAVCFPZAEGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O/c1-2-6-3-4-7-8(5-6)9-7;1-2-8-6-4-3-5-7(8)9-8/h2,6-8H,1,3-5H2;2,7H,1,3-6H2.
What are the key properties of 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane?
1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 248.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-7-oxabicyclo[4.1.0]heptane;3-ethenyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 87246121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).