5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one

C9H8O3 — CID 19885595

IUPAC5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one
SMILESO=C1OC(O)C2=C1C1=CCC2C1
InChIInChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1,5,9,11H,2-3H2
InChIKeyOICDAWDERDUNJF-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.51
Rot. Bonds

About 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one

5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one (PubChem CID 19885595) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one.

Molecular Properties

Compound Name5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one
PubChem CID19885595
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one
SMILESO=C1OC(O)C2=C1C1=CCC2C1
InChIInChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1,5,9,11H,2-3H2
InChIKeyOICDAWDERDUNJF-UHFFFAOYSA-N
XLogP0.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one?
The IUPAC name of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one (CID 19885595) is 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one.
What is the SMILES notation for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one?
The canonical SMILES for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one is O=C1OC(O)C2=C1C1=CCC2C1.
What is the InChIKey of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one?
The InChIKey is OICDAWDERDUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1,5,9,11H,2-3H2.
What are the key properties of 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one?
5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one has a molecular weight of 164.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-one is sourced from PubChem (CID 19885595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).