3,7-Dimethyl-1-{2,2,2-trichloro-1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethoxy}octa-2,6-diene
Basic information
- CAS
68140-44-3- Standard SMILES
CC(C)=CCC/C(C)=C/COC(OC/C=C(\C)CCC=C(C)C)C(Cl)(Cl)Cl- InChIKey
GHZZIFJPGVHZTE-IWGRKNQJSA-N- Molecular formula
- C22H35Cl3O2
- Average molar mass
- 437.9 g/mol
- Monoisotopic mass
- 436.170263
Names & identifiers
- Preferred name
- 3,7-Dimethyl-1-{2,2,2-trichloro-1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethoxy}octa-2,6-diene
- IUPAC
- (2E)-3,7-dimethyl-1-[2,2,2-trichloro-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethoxy]octa-2,6-diene
Names & synonyms
GHZZIFJPGVHZTE-IWGRKNQJSA-N3,7-Dimethyl-1-{2,2,2-trichloro-1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethoxy}octa-2,6-diene
Database identifiers
- CAS
68140-44-3- PubChem CID
- 6437486
- Nikkaji
- J429.757A
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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