1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane
Basic information
- CAS
74485-43-1- Standard SMILES
C1COCCOCOCCOCCOCCOCOCCOCCOCOCCOCCO1- InChIKey
PXHRDVYKHCZYCE-UHFFFAOYSA-N- Molecular formula
- C21H42O12
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.26762677
Names & identifiers
- Preferred name
- 1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane
- IUPAC
- 1,3,6,9,11,14,17,20,22,25,28,31-dodecaoxacyclotritriacontane
Names & synonyms
1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane74485-43-1DTXSID102254891,3,6,9,11,14,17,20,22,25,28,31-dodecaoxacyclotritriacontane
Database identifiers
- CAS
74485-43-1- PubChem CID
- 144657
- DTXSID
DTXSID10225489
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 364
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Related reactions
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Compound notes
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