5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane

C8H10O2 — CID 131858390

IUPAC5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane
SMILESC=C1C(=C)C2CCC1OO2
InChIInChI=1S/C8H10O2/c1-5-6(2)8-4-3-7(5)9-10-8/h7-8H,1-4H2
InChIKeyMTYLMWFCSQAHIO-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.59
Rot. Bonds

About 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane

5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane (PubChem CID 131858390) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane
PubChem CID131858390
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane
SMILESC=C1C(=C)C2CCC1OO2
InChIInChI=1S/C8H10O2/c1-5-6(2)8-4-3-7(5)9-10-8/h7-8H,1-4H2
InChIKeyMTYLMWFCSQAHIO-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane?
The IUPAC name of 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane (CID 131858390) is 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane.
What is the SMILES notation for 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane?
The canonical SMILES for 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane is C=C1C(=C)C2CCC1OO2.
What is the InChIKey of 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane?
The InChIKey is MTYLMWFCSQAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-6(2)8-4-3-7(5)9-10-8/h7-8H,1-4H2.
What are the key properties of 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane?
5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane has a molecular weight of 138.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane is sourced from PubChem (CID 131858390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).