1-(2-Bromo-1-butoxyethyl)-4-octylbenzene
Basic information
- CAS
21270-08-6- Standard SMILES
CCCCCCCCc1ccc(C(CBr)OCCCC)cc1- InChIKey
YYRCXESEJNIQEI-UHFFFAOYSA-N- Molecular formula
- C20H33BrO
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 368.17148
Names & identifiers
- Preferred name
- 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene
- IUPAC
- 1-(2-bromo-1-butoxyethyl)-4-octylbenzene
- English name
- [α-(Bromomethyl)-p-octylbenzyl]butyl ether
- Molecular formula
- C20H33BrO
- Molecular weight
- 369.38
Names & synonyms
1-(2-bromo-1-butoxyethyl)-4-octylbenzene21270-08-6DTXSID60943742RefChem:1053908DTXCID301372106BRN 2380432ETHER, alpha-(BROMOMETHYL)-p-OCTYLBENZYL BUTYLalpha-(Bromomethyl)-p-octylbenzyl butyl ester[alpha-(Bromomethyl)-p-octylbenzyl]butyl ether[α-(Bromomethyl)-p-octylbenzyl]butyl etherBenzene, 1-(2-bromo-1-butoxyethyl)-4-octyl-
Database identifiers
- CAS
21270-08-6- PubChem CID
- 30570
- DTXSID
DTXSID60943742- Nikkaji
- J75.042E
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…