9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde

C10H8O5 — CID 22282780

IUPAC9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde
SMILESO=Cc1cc(O)c2c(C=O)c1OCCO2
InChIInChI=1S/C10H8O5/c11-4-6-3-8(13)10-7(5-12)9(6)14-1-2-15-10/h3-5,13H,1-2H2
InChIKeyRDOWPZSDQHRQHE-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.79
Rot. Bonds2

About 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde

9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde (PubChem CID 22282780) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde.

Molecular Properties

Compound Name9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde
PubChem CID22282780
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde
SMILESO=Cc1cc(O)c2c(C=O)c1OCCO2
InChIInChI=1S/C10H8O5/c11-4-6-3-8(13)10-7(5-12)9(6)14-1-2-15-10/h3-5,13H,1-2H2
InChIKeyRDOWPZSDQHRQHE-UHFFFAOYSA-N
XLogP0.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde?
The IUPAC name of 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde (CID 22282780) is 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde.
What is the SMILES notation for 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde?
The canonical SMILES for 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde is O=Cc1cc(O)c2c(C=O)c1OCCO2.
What is the InChIKey of 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde?
The InChIKey is RDOWPZSDQHRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-4-6-3-8(13)10-7(5-12)9(6)14-1-2-15-10/h3-5,13H,1-2H2.
What are the key properties of 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde?
9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde has a molecular weight of 208.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,5-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-7,10-dicarbaldehyde is sourced from PubChem (CID 22282780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).