6,8-dioxabicyclo[3.2.1]oct-1-ene

C6H8O2 — CID 90687180

IUPAC6,8-dioxabicyclo[3.2.1]oct-1-ene
SMILESC1=C2COC(CC1)O2
InChIInChI=1S/C6H8O2/c1-2-5-4-7-6(3-1)8-5/h2,6H,1,3-4H2
InChIKeyOFFLSTQZDBSOGQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.04
Rot. Bonds

About 6,8-dioxabicyclo[3.2.1]oct-1-ene

6,8-dioxabicyclo[3.2.1]oct-1-ene (PubChem CID 90687180) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 6,8-dioxabicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name6,8-dioxabicyclo[3.2.1]oct-1-ene
PubChem CID90687180
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name6,8-dioxabicyclo[3.2.1]oct-1-ene
SMILESC1=C2COC(CC1)O2
InChIInChI=1S/C6H8O2/c1-2-5-4-7-6(3-1)8-5/h2,6H,1,3-4H2
InChIKeyOFFLSTQZDBSOGQ-UHFFFAOYSA-N
XLogP1.04
TPSA18.46 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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-Dioxabicyclo[3.2.1]oct-3-ene
CID 557134
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
CID 178270065
CID 178270065
CID 178270066
CID 178270066
(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 11040656
(1R,5S)-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 101638016
(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-ene
CID 67877435
(2R,5R)-2,3-dibutoxy-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 68346236
(4E)-4-butylidene-1,3-dioxolane
CID 90954704
2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran
CID 143642369
2-(1,3-Dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine
CID 174250812
(1R,2S,5R)-2-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 10702253

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxabicyclo[3.2.1]oct-1-ene?
The IUPAC name of 6,8-dioxabicyclo[3.2.1]oct-1-ene (CID 90687180) is 6,8-dioxabicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for 6,8-dioxabicyclo[3.2.1]oct-1-ene?
The canonical SMILES for 6,8-dioxabicyclo[3.2.1]oct-1-ene is C1=C2COC(CC1)O2.
What is the InChIKey of 6,8-dioxabicyclo[3.2.1]oct-1-ene?
The InChIKey is OFFLSTQZDBSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-4-7-6(3-1)8-5/h2,6H,1,3-4H2.
What are the key properties of 6,8-dioxabicyclo[3.2.1]oct-1-ene?
6,8-dioxabicyclo[3.2.1]oct-1-ene has a molecular weight of 112.13 g/mol, XLogP of 1.04, 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]oct-1-ene is sourced from PubChem (CID 90687180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).