7-oxabicyclo[4.2.1]nona-2,4-dien-8-one

C8H8O2 — CID 533530

IUPAC7-oxabicyclo[4.2.1]nona-2,4-dien-8-one
SMILESO=C1OC2C=CC=CC1C2
InChIInChI=1S/C8H8O2/c9-8-6-3-1-2-4-7(5-6)10-8/h1-4,6-7H,5H2
InChIKeyGFUHHAFPAPLHDR-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.04
Rot. Bonds

About 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one

7-oxabicyclo[4.2.1]nona-2,4-dien-8-one (PubChem CID 533530) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one.

Molecular Properties

Compound Name7-oxabicyclo[4.2.1]nona-2,4-dien-8-one
PubChem CID533530
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name7-oxabicyclo[4.2.1]nona-2,4-dien-8-one
SMILESO=C1OC2C=CC=CC1C2
InChIInChI=1S/C8H8O2/c9-8-6-3-1-2-4-7(5-6)10-8/h1-4,6-7H,5H2
InChIKeyGFUHHAFPAPLHDR-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one?
The IUPAC name of 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one (CID 533530) is 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one.
What is the SMILES notation for 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one?
The canonical SMILES for 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one is O=C1OC2C=CC=CC1C2.
What is the InChIKey of 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one?
The InChIKey is GFUHHAFPAPLHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-8-6-3-1-2-4-7(5-6)10-8/h1-4,6-7H,5H2.
What are the key properties of 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one?
7-oxabicyclo[4.2.1]nona-2,4-dien-8-one has a molecular weight of 136.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.2.1]nona-2,4-dien-8-one is sourced from PubChem (CID 533530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).