Ether, alpha-(bromomethyl)-m-cyclohexylbenzyl 2-ethylhexyl
Basic information
- CAS
21270-17-7- Standard SMILES
CCCCC(CC)COC(CBr)c1cccc(C2CCCCC2)c1- InChIKey
FLORVCLJQFUOIT-UHFFFAOYSA-N- Molecular formula
- C22H35BrO
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 394.18713
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-m-cyclohexylbenzyl 2-ethylhexyl
- IUPAC
- 1-[2-bromo-1-(2-ethylhexoxy)ethyl]-3-cyclohexylbenzene
Names & synonyms
BRN 2386765alpha-(Bromomethyl)-m-cyclohexylbenzyl 2-ethylhexyl ether21270-17-7ETHER, alpha-(BROMOMETHYL)-m-CYCLOHEXYLBENZYL 2-ETHYLHEXYLRefChem:341534DTXSID509437511-{2-Bromo-1-[(2-ethylhexyl)oxy]ethyl}-3-cyclohexylbenzene
Database identifiers
- CAS
21270-17-7- PubChem CID
- 30579
- DTXSID
DTXSID50943751- Nikkaji
- J61.542K
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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