6,8-dioxabicyclo[3.2.1]octane;ethane

C8H16O2 — CID 156638289

IUPAC6,8-dioxabicyclo[3.2.1]octane;ethane
SMILESC1CC2COC(C1)O2.CC
InChIInChI=1S/C6H10O2.C2H6/c1-2-5-4-7-6(3-1)8-5;1-2/h5-6H,1-4H2;1-2H3
InChIKeyIMIIDCUWAZUJDV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.94
Rot. Bonds

About 6,8-dioxabicyclo[3.2.1]octane;ethane

6,8-dioxabicyclo[3.2.1]octane;ethane (PubChem CID 156638289) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6,8-dioxabicyclo[3.2.1]octane;ethane.

Molecular Properties

Compound Name6,8-dioxabicyclo[3.2.1]octane;ethane
PubChem CID156638289
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6,8-dioxabicyclo[3.2.1]octane;ethane
SMILESC1CC2COC(C1)O2.CC
InChIInChI=1S/C6H10O2.C2H6/c1-2-5-4-7-6(3-1)8-5;1-2/h5-6H,1-4H2;1-2H3
InChIKeyIMIIDCUWAZUJDV-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 177187358
(1S,4S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 26342888
6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 57424736
6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 44616005
ethane;9-oxa-3-azabicyclo[3.3.1]nonan-3-amine
CID 168978362
2,5,7-trioxabicyclo[2.2.1]heptane
CID 146477270
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 10772992
(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]
CID 10584937
2,8-dioxabicyclo[5.2.1]decane
CID 91124831
3-methyl-9-oxabicyclo[3.3.1]nonane-3-thiol
CID 166672021
(1R,4R,5S)-4-bromo-6,8-dioxabicyclo[3.2.1]octane
CID 51029462
(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
CID 145014882

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxabicyclo[3.2.1]octane;ethane?
The IUPAC name of 6,8-dioxabicyclo[3.2.1]octane;ethane (CID 156638289) is 6,8-dioxabicyclo[3.2.1]octane;ethane.
What is the SMILES notation for 6,8-dioxabicyclo[3.2.1]octane;ethane?
The canonical SMILES for 6,8-dioxabicyclo[3.2.1]octane;ethane is C1CC2COC(C1)O2.CC.
What is the InChIKey of 6,8-dioxabicyclo[3.2.1]octane;ethane?
The InChIKey is IMIIDCUWAZUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H6/c1-2-5-4-7-6(3-1)8-5;1-2/h5-6H,1-4H2;1-2H3.
What are the key properties of 6,8-dioxabicyclo[3.2.1]octane;ethane?
6,8-dioxabicyclo[3.2.1]octane;ethane has a molecular weight of 144.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxabicyclo[3.2.1]octane;ethane is sourced from PubChem (CID 156638289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).