2,7-dioxabicyclo[3.2.0]heptane

C5H8O2 — CID 118053300

IUPAC2,7-dioxabicyclo[3.2.0]heptane
SMILESC1CC2COC2O1
InChIInChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2
InChIKeyCMTGZLZAPGEEGO-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.38
Rot. Bonds

About 2,7-dioxabicyclo[3.2.0]heptane

2,7-dioxabicyclo[3.2.0]heptane (PubChem CID 118053300) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2,7-dioxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,7-dioxabicyclo[3.2.0]heptane
PubChem CID118053300
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2,7-dioxabicyclo[3.2.0]heptane
SMILESC1CC2COC2O1
InChIInChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2
InChIKeyCMTGZLZAPGEEGO-UHFFFAOYSA-N
XLogP0.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dioxabicyclo[3.2.0]heptane?
The IUPAC name of 2,7-dioxabicyclo[3.2.0]heptane (CID 118053300) is 2,7-dioxabicyclo[3.2.0]heptane.
What is the SMILES notation for 2,7-dioxabicyclo[3.2.0]heptane?
The canonical SMILES for 2,7-dioxabicyclo[3.2.0]heptane is C1CC2COC2O1.
What is the InChIKey of 2,7-dioxabicyclo[3.2.0]heptane?
The InChIKey is CMTGZLZAPGEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2.
What are the key properties of 2,7-dioxabicyclo[3.2.0]heptane?
2,7-dioxabicyclo[3.2.0]heptane has a molecular weight of 100.12 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxabicyclo[3.2.0]heptane is sourced from PubChem (CID 118053300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).