6-oxabicyclo[3.2.1]octa-1,3-diene

C7H8O — CID 68853780

IUPAC6-oxabicyclo[3.2.1]octa-1,3-diene
SMILESC1=CC2CC(=C1)CO2
InChIInChI=1S/C7H8O/c1-2-6-4-7(3-1)8-5-6/h1-3,7H,4-5H2
InChIKeyRJVUQFPOEORUFS-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.27
Rot. Bonds

About 6-oxabicyclo[3.2.1]octa-1,3-diene

6-oxabicyclo[3.2.1]octa-1,3-diene (PubChem CID 68853780) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-oxabicyclo[3.2.1]octa-1,3-diene.

Molecular Properties

Compound Name6-oxabicyclo[3.2.1]octa-1,3-diene
PubChem CID68853780
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name6-oxabicyclo[3.2.1]octa-1,3-diene
SMILESC1=CC2CC(=C1)CO2
InChIInChI=1S/C7H8O/c1-2-6-4-7(3-1)8-5-6/h1-3,7H,4-5H2
InChIKeyRJVUQFPOEORUFS-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

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Related Compounds

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CID 131752304
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CID 140579
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
2,3,3a,7a-Tetrahydro-1-benzofuran
CID 17876141
6,7-Tetrahydroisobenzofuran
CID 21849955
Tetrahydronaphthofuran
CID 88795225
7-Oxabicyclo[4.1.0]hepta-2,4-diene, 2-methyl-
CID 10329262
2-But-3-enyl-4-ethenyl-2,5-dihydrofuran
CID 12045378
3,4-Dimethylbenzene oxide
CID 129868339
(1S,5S)-3-ethenyl-8-oxabicyclo[3.2.1]octa-2,6-diene
CID 134861425

Frequently Asked Questions

What is the IUPAC name of 6-oxabicyclo[3.2.1]octa-1,3-diene?
The IUPAC name of 6-oxabicyclo[3.2.1]octa-1,3-diene (CID 68853780) is 6-oxabicyclo[3.2.1]octa-1,3-diene.
What is the SMILES notation for 6-oxabicyclo[3.2.1]octa-1,3-diene?
The canonical SMILES for 6-oxabicyclo[3.2.1]octa-1,3-diene is C1=CC2CC(=C1)CO2.
What is the InChIKey of 6-oxabicyclo[3.2.1]octa-1,3-diene?
The InChIKey is RJVUQFPOEORUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-6-4-7(3-1)8-5-6/h1-3,7H,4-5H2.
What are the key properties of 6-oxabicyclo[3.2.1]octa-1,3-diene?
6-oxabicyclo[3.2.1]octa-1,3-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 6-oxabicyclo[3.2.1]octa-1,3-diene is sourced from PubChem (CID 68853780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).