4-Ethyl-4-methyl-2-pentadecyl-1,3-dioxolane
Basic information
- CAS
56599-78-1- Standard SMILES
CCCCCCCCCCCCCCCC1OCC(C)(CC)O1- InChIKey
VHHXANUVXLUOHV-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.31848058
Names & identifiers
- Preferred name
- 4-Ethyl-4-methyl-2-pentadecyl-1,3-dioxolane
- IUPAC
- 4-ethyl-4-methyl-2-pentadecyl-1,3-dioxolane
- English name
- 4-Ethyl-4-methyl-2-pentadecyl-1,3-dioxolane
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
4-Ethyl-4-methyl-2-pentadecyl-1,3-dioxolane1,3-Dioxolane, 4-ethyl-4-methyl-2-pentadecyl-56599-78-1VHHXANUVXLUOHV-UHFFFAOYSA-NDTXSID501016025DB-2630484-Ethyl-4-methyl-2-pentadecyl-1,3-dioxolane #
Database identifiers
- CAS
56599-78-1- PubChem CID
- 575362
- DTXSID
DTXSID501016025- Nikkaji
- J108.546H
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 394.7 · 394.7±17.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
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Compound notes
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