15,15'-(Dodecane-1,12-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
Basic information
- CAS
51461-89-3- Standard SMILES
C(CCCCCCN1CC2(CCCCC2)NC2(CCCCC2)C1)CCCCCN1CC2(CCCCC2)NC2(CCCCC2)C1- InChIKey
PSVZTCPJAVETLU-UHFFFAOYSA-N- Molecular formula
- C40H74N4
- Average molar mass
- 611 g/mol
- Monoisotopic mass
- 610.59134838
Names & identifiers
- Preferred name
- 15,15'-(Dodecane-1,12-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
- IUPAC
- 15-[12-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)dodecyl]-7,15-diazadispiro[5.1.58.36]hexadecane
Names & synonyms
51461-89-3SCHEMBL11704985DTXSID5061421215,15'-(Dodecane-1,12-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
Database identifiers
- CAS
51461-89-3- PubChem CID
- 21454741
- DTXSID
DTXSID50614212
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 695
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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