5,11-dioxatricyclo[8.1.0.04,6]undecane

C9H14O2 — CID 3319750

IUPAC5,11-dioxatricyclo[8.1.0.04,6]undecane
SMILESC1CC2OC2CCC2OC2C1
InChIInChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2
InChIKeyHLGDWSHQZUFCJF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.49
Rot. Bonds

About 5,11-dioxatricyclo[8.1.0.04,6]undecane

5,11-dioxatricyclo[8.1.0.04,6]undecane (PubChem CID 3319750) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,11-dioxatricyclo[8.1.0.04,6]undecane.

Molecular Properties

Compound Name5,11-dioxatricyclo[8.1.0.04,6]undecane
PubChem CID3319750
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5,11-dioxatricyclo[8.1.0.04,6]undecane
SMILESC1CC2OC2CCC2OC2C1
InChIInChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2
InChIKeyHLGDWSHQZUFCJF-UHFFFAOYSA-N
XLogP1.49
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,11-dioxatricyclo[8.1.0.04,6]undecane?
The IUPAC name of 5,11-dioxatricyclo[8.1.0.04,6]undecane (CID 3319750) is 5,11-dioxatricyclo[8.1.0.04,6]undecane.
What is the SMILES notation for 5,11-dioxatricyclo[8.1.0.04,6]undecane?
The canonical SMILES for 5,11-dioxatricyclo[8.1.0.04,6]undecane is C1CC2OC2CCC2OC2C1.
What is the InChIKey of 5,11-dioxatricyclo[8.1.0.04,6]undecane?
The InChIKey is HLGDWSHQZUFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2.
What are the key properties of 5,11-dioxatricyclo[8.1.0.04,6]undecane?
5,11-dioxatricyclo[8.1.0.04,6]undecane has a molecular weight of 154.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dioxatricyclo[8.1.0.04,6]undecane is sourced from PubChem (CID 3319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).