2-Hexyl-2,6,6-trimethyl-1,3-dioxan-4-one
Basic information
- CAS
67576-21-0- Standard SMILES
CCCCCCC1(C)OC(=O)CC(C)(C)O1- InChIKey
CHVOUHKPMBARRD-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 2-Hexyl-2,6,6-trimethyl-1,3-dioxan-4-one
- IUPAC
- 2-hexyl-2,6,6-trimethyl-1,3-dioxan-4-one
Names & synonyms
67576-21-02-HEXYL-2,6,6-TRIMETHYL-1,3-DIOXAN-4-ONEDTXSID90791117
Database identifiers
- CAS
67576-21-0- PubChem CID
- 71368034
- DTXSID
DTXSID90791117
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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