Basic information
- CAS
81294-22-6- Standard SMILES
C=CCOc1c2cccc1Cc1cccc(c1OCC=C)Cc1cccc(c1OCC=C)Cc1cccc(c1OCC=C)C2- InChIKey
BFMGXXPVJXTJRG-UHFFFAOYSA-N- Molecular formula
- C40H40O4
- Average molar mass
- 584.7 g/mol
- Monoisotopic mass
- 584.29265975
Names & identifiers
- Preferred name
- 25,26,27,28-Tetrakis(allyloxy)calix[4]arene
- IUPAC
- 25,26,27,28-tetrakis(prop-2-enoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
Names & synonyms
25,26,27,28-Tetrakis(allyloxy)calix[4]areneSCHEMBL1473328DTXSID70126150581294-22-625,26,27,28-Tetrakis[(prop-2-en-1-yl)oxy]pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
Database identifiers
- CAS
81294-22-6- PubChem CID
- 12935637
- DTXSID
DTXSID701261505- EC Number
- 617-211-4
- Nikkaji
- J1.102.150F
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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