2-[(4,4-Dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl-propan-2-ylamino]ethanol
Basic information
- CAS
7770-01-6- Standard SMILES
CC(C)N(CCO)CC1OC(c2ccccc2)OC2C1OC1OC(C)(C)OC12- InChIKey
OISVIRKNIBQSAC-UHFFFAOYSA-N- Molecular formula
- C21H31NO6
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.21513771
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-propan-2-ylamino]ethanol
- IUPAC
- 2-[(4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl-propan-2-ylamino]ethanol
Names & synonyms
NSC46332NSC-463327770-01-6
Database identifiers
- CAS
7770-01-6- PubChem CID
- 240246
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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