Basic information
- CAS
60796-44-3- Standard SMILES
CCCCCc1cc(OCCN2CCCC2)c2c(c1)OC(C)(C)C=C2.CCCCCc1cc(OCCN2CCCC2)c2c(c1)OC(C)(C)C=C2.O=C(O)C(=O)O- InChIKey
HJUWRUIXLZYIJH-UHFFFAOYSA-N- Molecular formula
- C46H68N2O8
- Average molar mass
- 777 g/mol
- Monoisotopic mass
- 776.49756713
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-((2,2-dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)-, ethanedioate (2:1)
- IUPAC
- bis(1-[2-(2,2-dimethyl-7-pentylchromen-5-yl)oxyethyl]pyrrolidine);oxalic acid
Names & synonyms
Pyrrolidine, 1-(2-((2,2-dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)-, ethanedioate (2:1)1-(2-((2,2-Dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)pyrrolidine ethanedioate (2:1)60796-44-35-(2-Pyrrolidinoethoxy)-2,2-dimethyl-7-n-pentylchromene oxalateDTXSID40209631RefChem:377955DTXCID90132122Oxalic acid--1-{2-[(2,2-dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy]ethyl}pyrrolidine (1/2)
Database identifiers
- CAS
60796-44-3- PubChem CID
- 3045463
- DTXSID
DTXSID40209631
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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