8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium

C7H8O2Y — CID 135045719

IUPAC8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
SMILESO=C1CC2C=CC(C1)O2.[Y]
InChIInChI=1S/C7H8O2.Y/c8-5-3-6-1-2-7(4-5)9-6;/h1-2,6-7H,3-4H2;
InChIKeyQGHJAGNQZQUZPO-UHFFFAOYSA-N
MW213.04 g/mol
LogP0.67
Rot. Bonds

About 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium

8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium (PubChem CID 135045719) has the molecular formula C7H8O2Y and a molecular weight of 213.04 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
PubChem CID135045719
Molecular FormulaC7H8O2Y
Molecular Weight213.04 g/mol
Exact Mass212.96
IUPAC Name8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
SMILESO=C1CC2C=CC(C1)O2.[Y]
InChIInChI=1S/C7H8O2.Y/c8-5-3-6-1-2-7(4-5)9-6;/h1-2,6-7H,3-4H2;
InChIKeyQGHJAGNQZQUZPO-UHFFFAOYSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 50.67
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

3,9-dioxabicyclo[4.2.1]non-7-en-4-one
CID 73124090
(4S)-7-oxabicyclo[2.2.1]hept-2-ene
CID 149332288
2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 14890741
(1S,5S)-bicyclo[3.2.1]oct-6-en-3-one
CID 7057322
2-[(1R,3S,6R)-3-hydroxy-6-methylcycloheptyl]-4-methoxy-4-oxobutanoic acid;8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 162225863
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
(1S,5R,7S,8S)-7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one
CID 131107062
2-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12846325
2,6-diphenyloxan-4-one
CID 500287
(1R,5S)-6-oxabicyclo[3.2.0]heptane-3,7-dione
CID 126970387
3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
CID 135056977
(3aS,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 11029897

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium (CID 135045719) is 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium is O=C1CC2C=CC(C1)O2.[Y].
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium?
The InChIKey is QGHJAGNQZQUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.Y/c8-5-3-6-1-2-7(4-5)9-6;/h1-2,6-7H,3-4H2;.
What are the key properties of 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium?
8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium has a molecular weight of 213.04 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium is sourced from PubChem (CID 135045719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).