Basic information
- CAS
134133-85-0- Standard SMILES
C#Cc1ccc(C23OCC(C(C)C=C)(CO2)CO3)cc1- InChIKey
MDIHHCCCJTXAKH-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methyl-2-propenyl)-
- IUPAC
- 4-but-3-en-2-yl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
1-(4-Ethynylphenyl)-4-(1-methyl-2-propenyl)-2,6,7-trioxabicyclo(2.2.2)octane134133-85-02,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methyl-2-propenyl)-RefChem:247912DTXSID109284684-(But-3-en-2-yl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
134133-85-0- PubChem CID
- 3077348
- DTXSID
DTXSID10928468
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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