Basic information
- CAS
21270-11-1- Standard SMILES
CCCCCCCCOC(CBr)c1ccc(C2CCCC2)cc1- InChIKey
XMQUNVBBVDFHCX-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 octyl
- IUPAC
- 1-(2-bromo-1-octoxyethyl)-4-cyclopentylbenzene
- English name
- [α-(Bromomethyl)-p-cyclopentylbenzyl]octyl ether
- Molecular formula
- C21H33BrO
- Molecular weight
- 381.39
Names & synonyms
BRN 238552021270-11-1alpha-(Bromomethyl)-p-cyclopentylbenzyl octyl etherETHER, alpha-(BROMOMETHYL)-p-CYCLOPENTYLBENZYL OCTYLRefChem:341541[alpha-(Bromomethyl)-p-cyclopentylbenzyl]octyl ether1-[2-bromo-1-(octyloxy)ethyl]-4-cyclopentylbenzeneDTXSID40943745Reaxys ID: 2385520[α-(Bromomethyl)-p-cyclopentylbenzyl]octyl etherBenzene, 1-[2-bromo-1-(octyloxy)ethyl]-4-cyclopentyl-
Database identifiers
- CAS
21270-11-1- PubChem CID
- 30573
- DTXSID
DTXSID40943745- Nikkaji
- J61.549H
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 440.5 · 440.5±30.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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