2,7-dioxabicyclo[7.2.1]dodecane

C10H18O2 — CID 45098511

IUPAC2,7-dioxabicyclo[7.2.1]dodecane
SMILESC1CCOC2CCC(COC1)C2
InChIInChI=1S/C10H18O2/c1-2-6-12-10-4-3-9(7-10)8-11-5-1/h9-10H,1-8H2
InChIKeyFBUJUMVYETZVJZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds

About 2,7-dioxabicyclo[7.2.1]dodecane

2,7-dioxabicyclo[7.2.1]dodecane (PubChem CID 45098511) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,7-dioxabicyclo[7.2.1]dodecane.

Molecular Properties

Compound Name2,7-dioxabicyclo[7.2.1]dodecane
PubChem CID45098511
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,7-dioxabicyclo[7.2.1]dodecane
SMILESC1CCOC2CCC(COC1)C2
InChIInChI=1S/C10H18O2/c1-2-6-12-10-4-3-9(7-10)8-11-5-1/h9-10H,1-8H2
InChIKeyFBUJUMVYETZVJZ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dioxabicyclo[7.2.1]dodecane?
The IUPAC name of 2,7-dioxabicyclo[7.2.1]dodecane (CID 45098511) is 2,7-dioxabicyclo[7.2.1]dodecane.
What is the SMILES notation for 2,7-dioxabicyclo[7.2.1]dodecane?
The canonical SMILES for 2,7-dioxabicyclo[7.2.1]dodecane is C1CCOC2CCC(COC1)C2.
What is the InChIKey of 2,7-dioxabicyclo[7.2.1]dodecane?
The InChIKey is FBUJUMVYETZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-6-12-10-4-3-9(7-10)8-11-5-1/h9-10H,1-8H2.
What are the key properties of 2,7-dioxabicyclo[7.2.1]dodecane?
2,7-dioxabicyclo[7.2.1]dodecane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxabicyclo[7.2.1]dodecane is sourced from PubChem (CID 45098511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).