3,8-dioxabicyclo[4.2.0]octane

C6H10O2 — CID 83669972

IUPAC3,8-dioxabicyclo[4.2.0]octane
SMILESC1CC2COC2CO1
InChIInChI=1S/C6H10O2/c1-2-7-4-6-5(1)3-8-6/h5-6H,1-4H2
InChIKeyNXRFOWCLDYAHHU-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.42
Rot. Bonds

About 3,8-dioxabicyclo[4.2.0]octane

3,8-dioxabicyclo[4.2.0]octane (PubChem CID 83669972) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3,8-dioxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name3,8-dioxabicyclo[4.2.0]octane
PubChem CID83669972
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3,8-dioxabicyclo[4.2.0]octane
SMILESC1CC2COC2CO1
InChIInChI=1S/C6H10O2/c1-2-7-4-6-5(1)3-8-6/h5-6H,1-4H2
InChIKeyNXRFOWCLDYAHHU-UHFFFAOYSA-N
XLogP0.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dioxabicyclo[4.2.0]octane?
The IUPAC name of 3,8-dioxabicyclo[4.2.0]octane (CID 83669972) is 3,8-dioxabicyclo[4.2.0]octane.
What is the SMILES notation for 3,8-dioxabicyclo[4.2.0]octane?
The canonical SMILES for 3,8-dioxabicyclo[4.2.0]octane is C1CC2COC2CO1.
What is the InChIKey of 3,8-dioxabicyclo[4.2.0]octane?
The InChIKey is NXRFOWCLDYAHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-7-4-6-5(1)3-8-6/h5-6H,1-4H2.
What are the key properties of 3,8-dioxabicyclo[4.2.0]octane?
3,8-dioxabicyclo[4.2.0]octane has a molecular weight of 114.14 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dioxabicyclo[4.2.0]octane is sourced from PubChem (CID 83669972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).