2-[(4,4-Dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl-(2-hydroxyethyl)amino]ethanol
Basic information
- CAS
6278-50-8- Standard SMILES
CC1(C)OC2OC3C(CN(CCO)CCO)OC(c4ccccc4)OC3C2O1- InChIKey
JPIUOZKQJVBYHJ-UHFFFAOYSA-N- Molecular formula
- C20H29NO7
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.19440226
Names & identifiers
- Preferred name
- 2-[(4,4-Dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl-(2-hydroxyethyl)amino]ethanol
- IUPAC
- 2-[(4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl-(2-hydroxyethyl)amino]ethanol
Names & synonyms
NSC34713NSC-347136278-50-8
Database identifiers
- CAS
6278-50-8- PubChem CID
- 234579
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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