6-oxabicyclo[3.2.1]oct-3-en-2-one

C7H8O2 — CID 141255465

IUPAC6-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=CC2CC1CO2
InChIInChI=1S/C7H8O2/c8-7-2-1-6-3-5(7)4-9-6/h1-2,5-6H,3-4H2
InChIKeyGPVCBTKVKQPRCC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.53
Rot. Bonds

About 6-oxabicyclo[3.2.1]oct-3-en-2-one

6-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 141255465) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name6-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID141255465
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name6-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=CC2CC1CO2
InChIInChI=1S/C7H8O2/c8-7-2-1-6-3-5(7)4-9-6/h1-2,5-6H,3-4H2
InChIKeyGPVCBTKVKQPRCC-UHFFFAOYSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Oxabicyclo[3.2.1]oct-3-en-7-one
CID 376759
6-Methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
CID 75166531
Epoxydine A
CID 139583546
(1S,5S)-6-Oxabicyclo[3.2.1]oct-3-EN-7-one
CID 10953490
5-Acetyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 12271757
(1R,5R)-6-oxabicyclo[3.2.1]oct-3-en-7-one
CID 12358173
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)propan-1-one
CID 14091335
1-(3-Acetyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanone
CID 21344831
(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one
CID 11389481
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]prop-2-en-1-one
CID 11469159
1-[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanone
CID 12271760
1-[(1S,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanone
CID 12271761

Frequently Asked Questions

What is the IUPAC name of 6-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 6-oxabicyclo[3.2.1]oct-3-en-2-one (CID 141255465) is 6-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 6-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 6-oxabicyclo[3.2.1]oct-3-en-2-one is O=C1C=CC2CC1CO2.
What is the InChIKey of 6-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is GPVCBTKVKQPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-7-2-1-6-3-5(7)4-9-6/h1-2,5-6H,3-4H2.
What are the key properties of 6-oxabicyclo[3.2.1]oct-3-en-2-one?
6-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 141255465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).