Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl
Basic information
- CAS
21270-06-4- Standard SMILES
CCCCCCCCOC(CBr)c1ccc(C(C)(C)C)cc1- InChIKey
BRTMPQQLYHLSIL-UHFFFAOYSA-N- Molecular formula
- C20H33BrO
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 368.17148
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl
- IUPAC
- 1-(2-bromo-1-octoxyethyl)-4-tert-butylbenzene
- English name
- [α-(Bromomethyl)-p-tert-butylbenzyl]octyl ether
- Molecular formula
- C20H33BrO
- Molecular weight
- 369.38
Names & synonyms
BRN 237611821270-06-4alpha-(Bromomethyl)-p-tert-butylbenzyl octyl etherETHER, alpha-(BROMOMETHYL)-p-tert-BUTYLBENZYL OCTYLRefChem:341546[alpha-(Bromomethyl)-p-tert-butylbenzyl]octyl ether1-[2-Bromo-1-(octyloxy)ethyl]-4-tert-butylbenzeneDTXSID40943740[α-(Bromomethyl)-p-tert-butylbenzyl]octyl etherBenzene, 1-[2-bromo-1-(octyloxy)ethyl]-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
21270-06-4- PubChem CID
- 30568
- DTXSID
DTXSID40943740- Nikkaji
- J61.538B
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 405.7 · 405.7±30.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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