2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene

C8H8O2 — CID 555485

IUPAC2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene
SMILESC1=CC2OC3C=CC2OC13
InChIInChI=1S/C8H8O2/c1-2-6-8-4-3-7(10-6)5(1)9-8/h1-8H
InChIKeyVUKAITFZNNVPTR-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.65
Rot. Bonds

About 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene

2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene (PubChem CID 555485) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene.

Molecular Properties

Compound Name2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene
PubChem CID555485
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene
SMILESC1=CC2OC3C=CC2OC13
InChIInChI=1S/C8H8O2/c1-2-6-8-4-3-7(10-6)5(1)9-8/h1-8H
InChIKeyVUKAITFZNNVPTR-UHFFFAOYSA-N
XLogP0.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene?
The IUPAC name of 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene (CID 555485) is 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene.
What is the SMILES notation for 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene?
The canonical SMILES for 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene is C1=CC2OC3C=CC2OC13.
What is the InChIKey of 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene?
The InChIKey is VUKAITFZNNVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-6-8-4-3-7(10-6)5(1)9-8/h1-8H.
What are the key properties of 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene?
2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene has a molecular weight of 136.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxatricyclo[4.4.0.03,8]deca-4,9-diene is sourced from PubChem (CID 555485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).