9-oxabicyclo[3.3.1]non-6-en-2-one

C8H10O2 — CID 557027

IUPAC9-oxabicyclo[3.3.1]non-6-en-2-one
SMILESO=C1CCC2C=CCC1O2
InChIInChI=1S/C8H10O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6,8H,3-5H2
InChIKeyGYZNCJBSTRCMCB-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About 9-oxabicyclo[3.3.1]non-6-en-2-one

9-oxabicyclo[3.3.1]non-6-en-2-one (PubChem CID 557027) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 9-oxabicyclo[3.3.1]non-6-en-2-one.

Molecular Properties

Compound Name9-oxabicyclo[3.3.1]non-6-en-2-one
PubChem CID557027
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name9-oxabicyclo[3.3.1]non-6-en-2-one
SMILESO=C1CCC2C=CCC1O2
InChIInChI=1S/C8H10O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6,8H,3-5H2
InChIKeyGYZNCJBSTRCMCB-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Oxabicyclo[6.1.0]non-6-en-2-one
CID 5370128
8-Oxabicyclo[3.2.1]oct-6-en-2-one
CID 66846074
9-Oxabicyclo[3.3.1]non-6-en-3-one
CID 557028
(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 130764589
9-Oxabicyclo[3.3.1]non-6-en-2-one, 3-bromo-, endo-
CID 557094
2-[(E)-hex-1-enyl]oxan-3-one
CID 10965158
9-Oxabicyclo(3.3.1)non-6-en-2-one, (1R)-
CID 130995371
2,6-dimethyloxan-3-one;2,6-dimethyl-2H-pyran-5-one
CID 159739741
CID 573000
CID 573000
1-[(2S)-3,6-dihydro-2H-pyran-2-yl]pent-4-en-1-one
CID 10855853
(1S,5S)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 15256108
(1R,3R,5R)-3-bromo-9-oxabicyclo[3.3.1]non-6-en-2-one
CID 22214627

Frequently Asked Questions

What is the IUPAC name of 9-oxabicyclo[3.3.1]non-6-en-2-one?
The IUPAC name of 9-oxabicyclo[3.3.1]non-6-en-2-one (CID 557027) is 9-oxabicyclo[3.3.1]non-6-en-2-one.
What is the SMILES notation for 9-oxabicyclo[3.3.1]non-6-en-2-one?
The canonical SMILES for 9-oxabicyclo[3.3.1]non-6-en-2-one is O=C1CCC2C=CCC1O2.
What is the InChIKey of 9-oxabicyclo[3.3.1]non-6-en-2-one?
The InChIKey is GYZNCJBSTRCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6,8H,3-5H2.
What are the key properties of 9-oxabicyclo[3.3.1]non-6-en-2-one?
9-oxabicyclo[3.3.1]non-6-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxabicyclo[3.3.1]non-6-en-2-one is sourced from PubChem (CID 557027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).