1,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
Basic information
- CAS
4740-81-2- Standard SMILES
CC(C)=CCC/C(C)=C/C1OCC(O)CO1- InChIKey
NUQAIRUKFLHEIK-YRNVUSSQSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- 1,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
- IUPAC
- 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxan-5-ol
Names & synonyms
4740-81-2EINECS 225-251-51,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-RefChem:2188111,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadienyl)-2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxan-5-olSCHEMBL6254150DTXSID30635902-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxan-5-olNUQAIRUKFLHEIK-YRNVUSSQSA-N
Database identifiers
- CAS
4740-81-2- PubChem CID
- 6437337
- EC Number
- 225-251-5
- Nikkaji
- J262.424I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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