7,8-dioxatricyclo[4.1.1.01,6]octane

C6H8O2 — CID 20556505

IUPAC7,8-dioxatricyclo[4.1.1.01,6]octane
SMILESC1CCC23OC2(C1)O3
InChIInChI=1S/C6H8O2/c1-2-4-6-5(3-1,7-6)8-6/h1-4H2
InChIKeyFLROQHJFKGXEIH-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.01
Rot. Bonds

About 7,8-dioxatricyclo[4.1.1.01,6]octane

7,8-dioxatricyclo[4.1.1.01,6]octane (PubChem CID 20556505) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 7,8-dioxatricyclo[4.1.1.01,6]octane.

Molecular Properties

Compound Name7,8-dioxatricyclo[4.1.1.01,6]octane
PubChem CID20556505
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name7,8-dioxatricyclo[4.1.1.01,6]octane
SMILESC1CCC23OC2(C1)O3
InChIInChI=1S/C6H8O2/c1-2-4-6-5(3-1,7-6)8-6/h1-4H2
InChIKeyFLROQHJFKGXEIH-UHFFFAOYSA-N
XLogP1.01
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.01
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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Related Compounds

5,6-dioxatricyclo[2.1.1.01,4]hexane
CID 141395038
1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane
CID 155682588
2,3,4,5,12,13-hexaoxatetracyclo[9.1.1.01,6.06,11]tridecane
CID 91341477
11-oxadispiro[2.0.64.13]undecane
CID 24976266
(1-methylcyclohexyl) 3-methyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 174442779
spiro[4.4]nonane
CID 90780660
2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane
CID 161268792
[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol
CID 67888178
(5R)-7,10-dioxa-4-azadispiro[4.0.46.45]tetradecane
CID 10607983
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
1,2,3-trioxaspiro[4.4]nonane
CID 19938651
4,4-dipentyl-1,2-dioxaspiro[2.5]octane
CID 142683527

Frequently Asked Questions

What is the IUPAC name of 7,8-dioxatricyclo[4.1.1.01,6]octane?
The IUPAC name of 7,8-dioxatricyclo[4.1.1.01,6]octane (CID 20556505) is 7,8-dioxatricyclo[4.1.1.01,6]octane.
What is the SMILES notation for 7,8-dioxatricyclo[4.1.1.01,6]octane?
The canonical SMILES for 7,8-dioxatricyclo[4.1.1.01,6]octane is C1CCC23OC2(C1)O3.
What is the InChIKey of 7,8-dioxatricyclo[4.1.1.01,6]octane?
The InChIKey is FLROQHJFKGXEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-4-6-5(3-1,7-6)8-6/h1-4H2.
What are the key properties of 7,8-dioxatricyclo[4.1.1.01,6]octane?
7,8-dioxatricyclo[4.1.1.01,6]octane has a molecular weight of 112.13 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dioxatricyclo[4.1.1.01,6]octane is sourced from PubChem (CID 20556505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).