Basic information
- CAS
412277-03-3- Standard SMILES
CCCCCCCC(O)CC1=CC(=O)OC(C)(C)O1- InChIKey
MGJZUJHXVKFUIY-UHFFFAOYSA-N- Molecular formula
- C15H26O4
- Average molar mass
- 270.36 g/mol
- Monoisotopic mass
- 270.18310931
Names & identifiers
- Preferred name
- 6-(2-Hydroxynonyl)-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
- IUPAC
- 6-(2-hydroxynonyl)-2,2-dimethyl-1,3-dioxin-4-one
Names & synonyms
412277-03-3DTXSID307856366-(2-Hydroxynonyl)-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
Database identifiers
- CAS
412277-03-3- PubChem CID
- 71361992
- DTXSID
DTXSID30785636
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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