Basic information
- CAS
5445-61-4- Standard SMILES
C=CCCCCCCCCC1OCC(CC)(CCCC)CO1- InChIKey
XZUARCVRZHFFOH-UHFFFAOYSA-N- Molecular formula
- C20H38O2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.28718045
Names & identifiers
- Preferred name
- 5-Butyl-2-(dec-9-en-1-yl)-5-ethyl-1,3-dioxane
- IUPAC
- 5-butyl-2-dec-9-enyl-5-ethyl-1,3-dioxane
Names & synonyms
5445-61-45-butyl-2-(dec-9-en-1-yl)-5-ethyl-1,3-dioxaneNSC22105DTXSID70281607NSC-22105
Database identifiers
- CAS
5445-61-4- PubChem CID
- 228922
- DTXSID
DTXSID70281607
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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