5-[(Dicyclohexylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
89044-57-5- Standard SMILES
CC1(C)OC(=O)C(=CN(C2CCCCC2)C2CCCCC2)C(=O)O1- InChIKey
NOEUNVQVFGHTFB-UHFFFAOYSA-N- Molecular formula
- C19H29NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.20965841
Names & identifiers
- Preferred name
- 5-[(Dicyclohexylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(dicyclohexylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Names & synonyms
NSC38231089044-57-55-[(dicyclohexylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID30321851NSC-382310DS-0088925-[(Dicyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
89044-57-5- PubChem CID
- 343203
- DTXSID
DTXSID30321851
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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