Basic information
- CAS
21270-07-5- Standard SMILES
CCCCCCc1ccc(C(CBr)OCC(CC)CCCC)cc1- InChIKey
JKAKCOCHORQLRD-UHFFFAOYSA-N- Molecular formula
- C22H37BrO
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 396.20278
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-p-hexylbenzyl 2-ethylhexyl
- IUPAC
- 1-[2-bromo-1-(2-ethylhexoxy)ethyl]-4-hexylbenzene
- English name
- [α-(Bromomethyl)-p-hexylbenzyl](2-ethylhexyl) ether
- Molecular formula
- C22H37BrO
- Molecular weight
- 397.43
Names & synonyms
BRN 238427021270-07-5alpha-(Bromomethyl)-p-hexylbenzyl 2-ethylhexyl etherETHER, alpha-(BROMOMETHYL)-p-HEXYLBENZYL 2-ETHYLHEXYLRefChem:341543[alpha-(Bromomethyl)-p-hexylbenzyl](2-ethylhexyl) etherDTXSID009437411-{2-BROMO-1-[(2-ETHYLHEXYL)OXY]ETHYL}-4-HEXYLBENZENE[α-(Bromomethyl)-p-hexylbenzyl](2-ethylhexyl) etherBenzene, 1-[2-bromo-1-[(2-ethylhexyl)oxy]ethyl]-4-hexyl-
Database identifiers
- CAS
21270-07-5- PubChem CID
- 30569
- DTXSID
DTXSID00943741- Nikkaji
- J61.552H
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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