4a,6a-Dimethyloctadecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-2-ol
Basic information
- CAS
23457-36-5- Standard SMILES
CC12CCC(O)CC1CCC1C2CCC2(C)C1CC1NC12- InChIKey
PGMUPRABCJZOAI-UHFFFAOYSA-N- Molecular formula
- C19H31NO
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 289.24056461
Names & identifiers
- Preferred name
- 4a,6a-Dimethyloctadecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-2-ol
- IUPAC
- 7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-14-ol
Names & synonyms
23457-36-54a,6a-dimethyloctadecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-2-olNSC141640DTXSID90301179NSC-1416404a,6a-Dimethyloctadecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-2-ol
Database identifiers
- CAS
23457-36-5- PubChem CID
- 285040
- DTXSID
DTXSID90301179
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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