8-oxabicyclo[3.2.1]octa-2,6-diene

C7H8O — CID 20653386

IUPAC8-oxabicyclo[3.2.1]octa-2,6-diene
SMILESC1=CC2C=CC(C1)O2
InChIInChI=1S/C7H8O/c1-2-6-4-5-7(3-1)8-6/h1-2,4-7H,3H2
InChIKeyCPBNRQXZWYYZSD-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.27
Rot. Bonds

About 8-oxabicyclo[3.2.1]octa-2,6-diene

8-oxabicyclo[3.2.1]octa-2,6-diene (PubChem CID 20653386) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]octa-2,6-diene.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]octa-2,6-diene
PubChem CID20653386
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name8-oxabicyclo[3.2.1]octa-2,6-diene
SMILESC1=CC2C=CC(C1)O2
InChIInChI=1S/C7H8O/c1-2-6-4-5-7(3-1)8-6/h1-2,4-7H,3H2
InChIKeyCPBNRQXZWYYZSD-UHFFFAOYSA-N
XLogP1.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzene oxide
CID 104944
3,6-Dihydro-2H-pyran
CID 520540
7-Oxabicyclo(2.2.1)hepta-2,5-diene
CID 1512660
2,5-Dihydro-2,5-dimethylfuran
CID 557796
6-Oxabicyclo[3.1.0]hex-2-ene
CID 165574
Ccris 2979
CID 10942345
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
9-Oxabicyclo(3.3.1)nona-2,6-diene
CID 555327
(1R,5S)-6-oxabicyclo[3.1.0]hex-2-ene
CID 12406989
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
6-propyl-3,6-dihydro-2H-pyran
CID 12507030
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]octa-2,6-diene?
The IUPAC name of 8-oxabicyclo[3.2.1]octa-2,6-diene (CID 20653386) is 8-oxabicyclo[3.2.1]octa-2,6-diene.
What is the SMILES notation for 8-oxabicyclo[3.2.1]octa-2,6-diene?
The canonical SMILES for 8-oxabicyclo[3.2.1]octa-2,6-diene is C1=CC2C=CC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]octa-2,6-diene?
The InChIKey is CPBNRQXZWYYZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-6-4-5-7(3-1)8-6/h1-2,4-7H,3H2.
What are the key properties of 8-oxabicyclo[3.2.1]octa-2,6-diene?
8-oxabicyclo[3.2.1]octa-2,6-diene has a molecular weight of 108.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]octa-2,6-diene is sourced from PubChem (CID 20653386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).