Basic information
- CAS
36546-27-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NC12CC3CC(C1)CC(C14CC5CC(CC(NC(=O)CCCCCCCCCCCCCCCCC)(C5)C1)C4)(C3)C2- InChIKey
RVWBUGJLYIBOGD-UHFFFAOYSA-N- Molecular formula
- C56H100N2O2
- Average molar mass
- 833.4 g/mol
- Monoisotopic mass
- 832.77848044
Names & identifiers
- Preferred name
- Octadecanamide, N,N'-(1,1-biadamantane-3,3'-diyl)bis-
- IUPAC
- N-[3-[3-(octadecanoylamino)-1-adamantyl]-1-adamantyl]octadecanamide
Names & synonyms
BRN 2932518N,N'-(1,1-Biadamantane-3,3'-diyl)dioctadecanamide36546-27-7N,N'-(1,1-Biadamantane-3,3'-diyl)distearamideStearamide, N,N'-(1,1'-biadamantane-3,3'-diyl)di-Octadecanamide, N,N'-(1,1-biadamantane-3,3'-diyl)bis-RefChem:366669DTXSID80957841N,N'-[[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diyl]dioctadecanimidic acid
Database identifiers
- CAS
36546-27-7- PubChem CID
- 64310
- DTXSID
DTXSID80957841
Properties
Computed structural properties
- XLogP
- 20.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 35
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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