1-(2-Bromo-1-butoxyethyl)-4-cyclopentylbenzene
Basic information
- CAS
21270-09-7- Standard SMILES
CCCCOC(CBr)c1ccc(C2CCCC2)cc1- InChIKey
IOUWQAOZAPRBBY-UHFFFAOYSA-N- Molecular formula
- C17H25BrO
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 324.10888
Names & identifiers
- Preferred name
- 1-(2-Bromo-1-butoxyethyl)-4-cyclopentylbenzene
- IUPAC
- 1-(2-bromo-1-butoxyethyl)-4-cyclopentylbenzene
- English name
- [α-(Bromomethyl)-p-cyclopentylbenzyl]butyl ether
- Molecular formula
- C17H25BrO
- Molecular weight
- 325.28
Names & synonyms
1-(2-bromo-1-butoxyethyl)-4-cyclopentylbenzene21270-09-7DTXSID20943743RefChem:1053907DTXCID001372107BRN 2378255alpha-(Bromomethyl)-p-cyclopentylbenzyl butyl ether[alpha-(Bromomethyl)-p-cyclopentylbenzyl]butyl etherETHER, alpha-(BROMOMETHYL)-p-CYCLOPENTYLBENZYL BUTYL[α-(Bromomethyl)-p-cyclopentylbenzyl]butyl etherBenzene, 1-(2-bromo-1-butoxyethyl)-4-cyclopentyl-
Database identifiers
- CAS
21270-09-7- PubChem CID
- 30571
- DTXSID
DTXSID20943743- Nikkaji
- J61.547A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 385.2 · 385.2±27.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
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Compound notes
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