4,5-Dimethyl-2-octyl-1,3-dioxolane
Basic information
- CAS
5452-11-9- Standard SMILES
CCCCCCCCC1OC(C)C(C)O1- InChIKey
PPQQCUYSNPLHBU-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-octyl-1,3-dioxolane
- IUPAC
- 4,5-dimethyl-2-octyl-1,3-dioxolane
- English name
- 4,5-dimethyl-2-octyl-1,3-dioxolane
- Molecular formula
- C13H26O2
- Molecular weight
- 0
Names & synonyms
4,5-dimethyl-2-octyl-1,3-dioxolane5452-11-9DTXSID00281539RefChem:285513DTXCID10232693NSC21905SCHEMBL5945072NSC-21905
Database identifiers
- CAS
5452-11-9- PubChem CID
- 228779
- DTXSID
DTXSID00281539
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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