1,8-Octanedione, 2,7-bis(4-morpholinylmethyl)-1,8-bis(4-(pentyloxy)phenyl)-, dihydrochloride
Basic information
- CAS
138371-25-2- Standard SMILES
CCCCCOc1ccc(C(=O)C(CCCCC(CN2CCOCC2)C(=O)c2ccc(OCCCCC)cc2)CN2CCOCC2)cc1.Cl.Cl- InChIKey
OBUXEUKBQLDBDG-UHFFFAOYSA-N- Molecular formula
- C40H62Cl2N2O6
- Average molar mass
- 737.8 g/mol
- Monoisotopic mass
- 736.3984931
Names & identifiers
- Preferred name
- 1,8-Octanedione, 2,7-bis(4-morpholinylmethyl)-1,8-bis(4-(pentyloxy)phenyl)-, dihydrochloride
- IUPAC
- 2,7-bis(morpholin-4-ylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione;dihydrochloride
Names & synonyms
2,7-Bis(4-morpholinylmethyl)-1,8-bis(4-(pentyloxy)phenyl)-1,8-octanedione dihydrochloride138371-25-21,8-Octanedione, 2,7-bis(4-morpholinylmethyl)-1,8-bis(4-(pentyloxy)phenyl)-, dihydrochlorideRefChem:221914DTXSID509300852,7-Bis[(morpholin-4-yl)methyl]-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
138371-25-2- PubChem CID
- 3071702
- DTXSID
DTXSID50930085
Properties
Computed structural properties
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 790
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Compound notes
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