Basic information
- CAS
56599-35-0- Standard SMILES
CCCCCCCCCCCCCCCC1OCC(C(C)C)O1- InChIKey
YYVOCDSHVIDWES-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.31848058
Names & identifiers
- Preferred name
- 4-Isopropyl-2-pentadecyl-1,3-dioxolane
- IUPAC
- 2-pentadecyl-4-propan-2-yl-1,3-dioxolane
- English name
- 4-Isopropyl-2-pentadecyl-1,3-dioxolane
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
4-Isopropyl-2-pentadecyl-1,3-dioxolane56599-35-0DTXSID70341730RefChem:293627DTXCID302928102-pentadecyl-4-(propan-2-yl)-1,3-dioxolane1,3-Dioxolane, 4-(1-methylethyl)-2-pentadecyl-YYVOCDSHVIDWES-UHFFFAOYSA-N4-Isopropyl-2-pentadecyl-1,3-dioxolane #DB-263143
Database identifiers
- CAS
56599-35-0- PubChem CID
- 575374
- DTXSID
DTXSID70341730- Nikkaji
- J108.542E
Properties
Computed structural properties
- XLogP
- 9
- 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
- 252
Physicochemical properties
- Boiling point
- 398.7 · 398.7±17.0 °C(Predicted)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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