2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1)
Basic information
- CAS
66223-13-0- Standard SMILES
CC1CC2(CC(CN3CCOCC3)OC2=O)C(=O)O1.CC1CC2(CC(CN3CCOCC3)OC2=O)C(=O)O1.O- InChIKey
RLFXHPIUFSECLZ-UHFFFAOYSA-N- Molecular formula
- C26H40N2O11
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.2632101
Names & identifiers
- Preferred name
- 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1)
- IUPAC
- bis(8-methyl-3-(morpholin-4-ylmethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione);hydrate
Names & synonyms
66223-13-03-Methyl-8-(4-morpholinylmethyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione hemihydrate2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1)RefChem:248841DTXSID209847173-Methyl-8-[(morpholin-4-yl)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione--water (2/1)
Database identifiers
- CAS
66223-13-0- PubChem CID
- 47868
- DTXSID
DTXSID20984717
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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