Basic information
- CAS
64305-17-5- Standard SMILES
CCCCCCCCCC1(CCCCCCCC(=O)OCCCC)COC(C)(C)OC1- InChIKey
VXMUZRDDDSRXNN-UHFFFAOYSA-N- Molecular formula
- C27H52O4
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.38656014
Names & identifiers
- Preferred name
- Butyl 8-(2,2-dimethyl-5-nonyl-1,3-dioxan-5-YL)octanoate
- IUPAC
- butyl 8-(2,2-dimethyl-5-nonyl-1,3-dioxan-5-yl)octanoate
Names & synonyms
64305-17-5BUTYL 8-(2,2-DIMETHYL-5-NONYL-1,3-DIOXAN-5-YL)OCTANOATEDTXSID00794831
Database identifiers
- CAS
64305-17-5- PubChem CID
- 71371925
- DTXSID
DTXSID00794831
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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