6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one

C8H8O2 — CID 14924714

IUPAC6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
SMILESC=CC1=CC2CC(=O)C1O2
InChIInChI=1S/C8H8O2/c1-2-5-3-6-4-7(9)8(5)10-6/h2-3,6,8H,1,4H2
InChIKeyZUDGXGUJKIZRBS-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.84
Rot. Bonds1

About 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one

6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one (PubChem CID 14924714) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one.

Molecular Properties

Compound Name6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
PubChem CID14924714
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
SMILESC=CC1=CC2CC(=O)C1O2
InChIInChI=1S/C8H8O2/c1-2-5-3-6-4-7(9)8(5)10-6/h2-3,6,8H,1,4H2
InChIKeyZUDGXGUJKIZRBS-UHFFFAOYSA-N
XLogP0.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Trienylfuranone A
CID 132571657
Trienylfuranone B
CID 132571659
7-Oxabicyclo(2.2.1)hept-5-en-2-one
CID 549244
(1S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 10953449
(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 11083853
Dihydronaphthofuranone
CID 88036029
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dione
CID 143246
(4S)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 166449212
(1R,4R)-6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 11126312
5-Ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 14924718
3a,7a-Dihydro-1-benzofuran-3-one
CID 57276931
(1R)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 71408260

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one?
The IUPAC name of 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one (CID 14924714) is 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one.
What is the SMILES notation for 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one?
The canonical SMILES for 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one is C=CC1=CC2CC(=O)C1O2.
What is the InChIKey of 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one?
The InChIKey is ZUDGXGUJKIZRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-5-3-6-4-7(9)8(5)10-6/h2-3,6,8H,1,4H2.
What are the key properties of 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one?
6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one is sourced from PubChem (CID 14924714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).