Basic information
- CAS
21270-12-2- Standard SMILES
CCCCC(CC)COC(CBr)c1ccc(C2CCCC2)cc1- InChIKey
BHVWTVKOTBMWHO-UHFFFAOYSA-N- Molecular formula
- C21H33BrO
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 380.17148
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl 2-ethylhexyl
- IUPAC
- 1-[2-bromo-1-(2-ethylhexoxy)ethyl]-4-cyclopentylbenzene
- English name
- [α-(Bromomethyl)-p-cyclopentylbenzyl](2-ethylhexyl) ether
- Molecular formula
- C21H33BrO
- Molecular weight
- 381.39
Names & synonyms
BRN 238551321270-12-2alpha-(Bromomethyl)-p-cyclopentylbenzyl 2-ethylhexyl etherETHER, alpha-(BROMOMETHYL)-p-CYCLOPENTYLBENZYL 2-ETHYLHEXYLRefChem:3415401-{2-bromo-1-[(2-ethylhexyl)oxy]ethyl}-4-cyclopentylbenzeneDTXSID00943746[alpha-(Bromomethyl)-p-cyclopentylbenzyl](2-ethylhexyl) ether[α-(Bromomethyl)-p-cyclopentylbenzyl](2-ethylhexyl) etherBenzene, 1-[2-bromo-1-[(2-ethylhexyl)oxy]ethyl]-4-cyclopentyl-
Database identifiers
- CAS
21270-12-2- PubChem CID
- 30574
- DTXSID
DTXSID00943746- Nikkaji
- J61.548J
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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