Ether, alpha-(bromomethyl)-p-cyclohexylbenzyl octyl
Basic information
- CAS
21270-15-5- Standard SMILES
CCCCCCCCOC(CBr)c1ccc(C2CCCCC2)cc1- InChIKey
AGOPOGYONHCVPM-UHFFFAOYSA-N- Molecular formula
- C22H35BrO
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 394.18713
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-p-cyclohexylbenzyl octyl
- IUPAC
- 1-(2-bromo-1-octoxyethyl)-4-cyclohexylbenzene
- English name
- [α-(Bromomethyl)-p-cyclohexylbenzyl]octyl ether
- Molecular formula
- C22H35BrO
- Molecular weight
- 395.42
Names & synonyms
BRN 238665021270-15-5alpha-(Bromomethyl)-p-cyclohexylbenzyl octyl etherETHER, alpha-(BROMOMETHYL)-p-CYCLOHEXYLBENZYL OCTYLRefChem:341538[alpha-(Bromomethyl)-p-cyclohexylbenzyl]octyl ether1-[2-Bromo-1-(octyloxy)ethyl]-4-cyclohexylbenzeneDTXSID80943749[α-(Bromomethyl)-p-cyclohexylbenzyl]octyl etherBenzene, 1-[2-bromo-1-(octyloxy)ethyl]-4-cyclohexyl-
Database identifiers
- CAS
21270-15-5- PubChem CID
- 30577
- DTXSID
DTXSID80943749- Nikkaji
- J61.545E
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 455.2 · 455.2±30.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
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Compound notes
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