2,6-Diisopropylanisole
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Basic information
- CAS
2944-52-7- Standard SMILES
COc1c(C(C)C)cccc1C(C)C- InChIKey
NJIYPCPZILAPKS-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 2,6-Diisopropylanisole
- IUPAC
- 2-methoxy-1,3-di(propan-2-yl)benzene
- English name
- 2,6-DIISOPROPYLANISOLE
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
2,6-Diisopropylanisole1,3-Diisopropyl-2-methoxybenzene2944-52-72-methoxy-1,3-di(propan-2-yl)benzene2-Methoxy-1,3-bis(1-methylethyl)benzene1-Methoxy-2,6-diisopropylbenzene2,6-diisopropyl anisole2,6-di-i-propyl anisoleBenzene, 2-methoxy-1,3-bis(1-methylethyl)-CHEMBL434788SCHEMBL4731232SCHEMBL5548772
Show more names
SCHEMBL9245027SCHEMBL16957768SCHEMBL16957771NJIYPCPZILAPKS-UHFFFAOYSA-DTXSID603449921,3-Diisopropyl-2-methoxy-benzene1,3-Diisopropyl-2-methoxybenzene #MFCD20268529
Database identifiers
- CAS
2944-52-7- PubChem CID
- 600975
- DTXSID
DTXSID60344992- ChEMBL
CHEMBL434788- Nikkaji
- J308.143E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 57 °C · 57 °C(Press: 2.5 Torr)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 2944 · 2944-52-7
Related reactions
3 records
Compound notes
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