Ether, alpha-(bromomethyl)-p-isopropylbenzyl dodecyl
Basic information
- CAS
21270-05-3- Standard SMILES
CCCCCCCCCCCCOC(CBr)c1ccc(C(C)C)cc1- InChIKey
IGKJHIYJWOEEQC-UHFFFAOYSA-N- Molecular formula
- C23H39BrO
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 410.21843
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)-p-isopropylbenzyl dodecyl
- IUPAC
- 1-(2-bromo-1-dodecoxyethyl)-4-propan-2-ylbenzene
- English name
- [α-(Bromomethyl)-p-isopropylbenzyl]dodecyl ether
- Molecular formula
- C23H39BrO
- Molecular weight
- 411.46
Names & synonyms
BRN 238575921270-05-3alpha-(Bromomethyl)-p-isopropylbenzyl dodecyl etherETHER, alpha-(BROMOMETHYL)-p-ISOPROPYLBENZYL DODECYLRefChem:3415441-[2-bromo-1-(dodecyloxy)ethyl]-4-(propan-2-yl)benzene[alpha-(Bromomethyl)-p-isopropylbenzyl]dodecyl etherDTXSID30943739[α-(Bromomethyl)-p-isopropylbenzyl]dodecyl etherBenzene, 1-[2-bromo-1-(dodecyloxy)ethyl]-4-(1-methylethyl)-
Database identifiers
- CAS
21270-05-3- PubChem CID
- 30567
- DTXSID
DTXSID30943739- Nikkaji
- J75.040I
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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