6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene

C7H6O — CID 173234966

IUPAC6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene
SMILESC=CC1c2ccoc21
InChIInChI=1S/C7H6O/c1-2-5-6-3-4-8-7(5)6/h2-5H,1H2
InChIKeyTXTYHIJJUMTFBV-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.91
Rot. Bonds1

About 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene

6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene (PubChem CID 173234966) has the molecular formula C7H6O and a molecular weight of 106.12 g/mol. Its IUPAC name is 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene.

Molecular Properties

Compound Name6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene
PubChem CID173234966
Molecular FormulaC7H6O
Molecular Weight106.12 g/mol
Exact Mass106.04
IUPAC Name6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene
SMILESC=CC1c2ccoc21
InChIInChI=1S/C7H6O/c1-2-5-6-3-4-8-7(5)6/h2-5H,1H2
InChIKeyTXTYHIJJUMTFBV-UHFFFAOYSA-N
XLogP1.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.91
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 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene?
The IUPAC name of 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene (CID 173234966) is 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene.
What is the SMILES notation for 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene?
The canonical SMILES for 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene is C=CC1c2ccoc21.
What is the InChIKey of 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene?
The InChIKey is TXTYHIJJUMTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O/c1-2-5-6-3-4-8-7(5)6/h2-5H,1H2.
What are the key properties of 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene?
6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene has a molecular weight of 106.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-oxabicyclo[3.1.0]hexa-1(5),3-diene is sourced from PubChem (CID 173234966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).