2H,9H-1,5,8,12-Benzotetraoxacyclotetradecin, dodecahydro-
Basic information
- CAS
88718-31-4- Standard SMILES
C1COCCOCCCOC2CCCCC2OC1- InChIKey
FZPNKCKRUARCII-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- 2H,9H-1,5,8,12-Benzotetraoxacyclotetradecin, dodecahydro-
- IUPAC
- 2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
Names & synonyms
2H,9H-1,5,8,12-Benzotetraoxacyclotetradecin, dodecahydro-88718-31-4Cyclohexyl-14-crown-4DTXSID701008319dodecahydro-2H,9H-1,5,8,12-benzotetraoxacyclotetradecine
Database identifiers
- CAS
88718-31-4- PubChem CID
- 145183
- DTXSID
DTXSID701008319
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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