4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene

C7H10O3 — CID 14850329

IUPAC4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene
SMILESCOC1C=CC2COC1O2
InChIInChI=1S/C7H10O3/c1-8-6-3-2-5-4-9-7(6)10-5/h2-3,5-7H,4H2,1H3
InChIKeyBJMUDROYOIIRAH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.31
Rot. Bonds1

About 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene

4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene (PubChem CID 14850329) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene
PubChem CID14850329
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene
SMILESCOC1C=CC2COC1O2
InChIInChI=1S/C7H10O3/c1-8-6-3-2-5-4-9-7(6)10-5/h2-3,5-7H,4H2,1H3
InChIKeyBJMUDROYOIIRAH-UHFFFAOYSA-N
XLogP0.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
1,3-Dioxolane, 4-methyl-2-propenyl-
CID 5385682
3,4-Dehydrobrevicomin
CID 536095
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
2,3-Dehydrobrevicomin
CID 125991
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
6,8-Dioxabicyclo[3.2.1]oct-3-ene
CID 557134
6-Methoxy-3,6-dihydro-2H-pyran
CID 557737
6-ethoxy-3,6-dihydro-2H-pyran
CID 359256
2-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)-1,3-dioxolane
CID 12770203

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene (CID 14850329) is 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene is COC1C=CC2COC1O2.
What is the InChIKey of 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene?
The InChIKey is BJMUDROYOIIRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-8-6-3-2-5-4-9-7(6)10-5/h2-3,5-7H,4H2,1H3.
What are the key properties of 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene?
4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene has a molecular weight of 142.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,8-dioxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 14850329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).