2,6-dioxabicyclo[5.1.0]octane

C6H10O2 — CID 118210494

IUPAC2,6-dioxabicyclo[5.1.0]octane
SMILESC1COC2CC2OC1
InChIInChI=1S/C6H10O2/c1-2-7-5-4-6(5)8-3-1/h5-6H,1-4H2
InChIKeyXEDRIFWNDGTYGT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds

About 2,6-dioxabicyclo[5.1.0]octane

2,6-dioxabicyclo[5.1.0]octane (PubChem CID 118210494) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2,6-dioxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name2,6-dioxabicyclo[5.1.0]octane
PubChem CID118210494
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2,6-dioxabicyclo[5.1.0]octane
SMILESC1COC2CC2OC1
InChIInChI=1S/C6H10O2/c1-2-7-5-4-6(5)8-3-1/h5-6H,1-4H2
InChIKeyXEDRIFWNDGTYGT-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
(4aR,5aR,9aS,10aS)-2,3,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydronaphtho[2,3-b][1,4]dioxine
CID 13438326
2-(oxiran-2-yl)oxolane
CID 18759351
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
CID 118210349
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
methane;2-methyl-1,3-dioxane
CID 144526875
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
(1R,3S,8R,11S,13R,18S,20R)-20-methyl-2,7,12,17-tetraoxatetracyclo[9.9.0.03,8.013,18]icos-9-ene
CID 11162208
2-oxabicyclo[4.2.0]octan-7-ylmethanol
CID 84716262

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxabicyclo[5.1.0]octane?
The IUPAC name of 2,6-dioxabicyclo[5.1.0]octane (CID 118210494) is 2,6-dioxabicyclo[5.1.0]octane.
What is the SMILES notation for 2,6-dioxabicyclo[5.1.0]octane?
The canonical SMILES for 2,6-dioxabicyclo[5.1.0]octane is C1COC2CC2OC1.
What is the InChIKey of 2,6-dioxabicyclo[5.1.0]octane?
The InChIKey is XEDRIFWNDGTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-7-5-4-6(5)8-3-1/h5-6H,1-4H2.
What are the key properties of 2,6-dioxabicyclo[5.1.0]octane?
2,6-dioxabicyclo[5.1.0]octane has a molecular weight of 114.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxabicyclo[5.1.0]octane is sourced from PubChem (CID 118210494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).