Basic information
- CAS
6316-49-0- Standard SMILES
CCCCCCCCCCC1OCC(CC)(CCCC)CO1- InChIKey
APYMTCKWSGBOPV-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- 5-Butyl-2-decyl-5-ethyl-1,3-dioxane
- IUPAC
- 5-butyl-2-decyl-5-ethyl-1,3-dioxane
Names & synonyms
6316-49-05-butyl-2-decyl-5-ethyl-1,3-dioxaneNSC22547DTXSID30281688NSC-22547
Database identifiers
- CAS
6316-49-0- PubChem CID
- 229124
- DTXSID
DTXSID30281688
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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