1,3-Dioxane, 4-(2-iodoethyl)-2,2-dimethyl-6-(4-pentenyl)-, (4R,6S)-
Basic information
- CAS
646523-15-1- Standard SMILES
C=CCCC[C@H]1C[C@H](CCI)OC(C)(C)O1- InChIKey
WIFKIYDIYRBUBI-RYUDHWBXSA-N- Molecular formula
- C13H23IO2
- Average molar mass
- 338.22 g/mol
- Monoisotopic mass
- 338.07428
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4-(2-iodoethyl)-2,2-dimethyl-6-(4-pentenyl)-, (4R,6S)-
- IUPAC
- (4R,6S)-4-(2-iodoethyl)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxane
Names & synonyms
646523-15-11,3-Dioxane, 4-(2-iodoethyl)-2,2-dimethyl-6-(4-pentenyl)-, (4R,6S)-DTXSID70465607RefChem:218825DTXCID60416426(4R,6S)-4-(2-IODOETHYL)-2,2-DIMETHYL-6-(PENT-4-EN-1-YL)-1,3-DIOXANE
Database identifiers
- CAS
646523-15-1- PubChem CID
- 11427711
- DTXSID
DTXSID70465607- Nikkaji
- J3.247.457H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
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Compound notes
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