Basic information
- CAS
6413-35-0- Standard SMILES
CCCC1(C)OC(C)CC(C)O1- InChIKey
ZWIUKQZCLMHQDU-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2,4,6-Trimethyl-2-propyl-1,3-dioxane
- IUPAC
- 2,4,6-trimethyl-2-propyl-1,3-dioxane
Names & synonyms
6413-35-02,4,6-trimethyl-2-propyl-1,3-dioxaneNSC74646DTXSID40291278NSC-74646
Database identifiers
- CAS
6413-35-0- PubChem CID
- 252576
- DTXSID
DTXSID40291278
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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