4,4-Dimethoxybutylbenzene
Basic information
- CAS
85629-18-1- Standard SMILES
COC(CCCc1ccccc1)OC- InChIKey
LZKBOCQYEOVUNZ-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 4,4-Dimethoxybutylbenzene
- IUPAC
- 4,4-dimethoxybutylbenzene
- English name
- 1-(4,4-diMethoxybutyl)benzene
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
4,4-dimethoxybutylbenzene85629-18-1DTXSID80397127RefChem:284963DTXCID403479861-(4,4-dimethoxybutyl)benzeneSCHEMBL5640700SCHEMBL8071187(4,4-DIMETHOXYBUTYL)BENZENEAKOS015916825DB-300591Benzene, (4,4-dimethoxybutyl)-
Database identifiers
- CAS
85629-18-1- PubChem CID
- 3837751
- DTXSID
DTXSID80397127
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 269.6 · 269.6±33.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
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Compound notes
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