5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene

C8H6O2 — CID 54448977

IUPAC5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene
SMILESc1cc2c3c(c1CO3)CO2
InChIInChI=1S/C8H6O2/c1-2-7-8-6(4-9-7)5(1)3-10-8/h1-2H,3-4H2
InChIKeyHOJRLKKNTIGHJJ-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.47
Rot. Bonds

About 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene

5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene (PubChem CID 54448977) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene.

Molecular Properties

Compound Name5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene
PubChem CID54448977
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene
SMILESc1cc2c3c(c1CO3)CO2
InChIInChI=1S/C8H6O2/c1-2-7-8-6(4-9-7)5(1)3-10-8/h1-2H,3-4H2
InChIKeyHOJRLKKNTIGHJJ-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene?
The IUPAC name of 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene (CID 54448977) is 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene.
What is the SMILES notation for 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene?
The canonical SMILES for 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene is c1cc2c3c(c1CO3)CO2.
What is the InChIKey of 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene?
The InChIKey is HOJRLKKNTIGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c1-2-7-8-6(4-9-7)5(1)3-10-8/h1-2H,3-4H2.
What are the key properties of 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene?
5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene has a molecular weight of 134.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dioxatricyclo[5.3.0.04,8]deca-1(7),2,4(8)-triene is sourced from PubChem (CID 54448977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).