Basic information
- CAS
97536-49-7- Standard SMILES
CC(C)=CCCC1OC(C)CC(C)O1- InChIKey
ZJCKKGQWHCCJKN-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-
- IUPAC
- 4,6-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
- English name
- 4,6-Dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
97536-49-71,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-SCHEMBL10827076DTXSID309138764,6-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)-1,3-DIOXANE2-(4-methyl-3-pentene)-4,6-dimethyl-1,3-dioxane4,6-Dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-penten-1-yl)-
Database identifiers
- CAS
97536-49-7- PubChem CID
- 176641
- DTXSID
DTXSID30913876
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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