Basic information
- CAS
15359-99-6- Standard SMILES
COc1cccc(OC(C)(C)C)c1- InChIKey
IQQYODCPWIXFPZ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 1-(1,1-Dimethylethoxy)-3-methoxybenzene
- IUPAC
- 1-methoxy-3-[(2-methylpropan-2-yl)oxy]benzene
- English name
- 3-tert-Butoxyanisole
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
15359-99-61-(tert-butoxy)-3-methoxybenzene1-(1,1-DIMETHYLETHOXY)-3-METHOXYBENZENE3-tert-butoxyanisole1-tert-Butoxy-3-methoxybenzene3-(tert-Butoxy)anisoleBenzene, 1-tert-butoxy-3-methoxy-1-methoxy-3-[(2-methylpropan-2-yl)oxy]benzene3-tert.-ButyloxyanisolBenzene, 1-(1,1-dimethylethoxy)-3-methoxy-SCHEMBL678558SCHEMBL7420861
Show more names
3-Methoxy-1-tert-butoxybenzene3-Methoxyphenyl tert-butyl ether
SCHEMBL16959383DTXSID60165366IQQYODCPWIXFPZ-UHFFFAOYSA-N1-tert-Butoxy-3-methoxybenzene #3-Methoxy-1-(tert-butoxy)benzeneMFCD28363989SY298932DB-183539
Database identifiers
- CAS
15359-99-6- PubChem CID
- 27210
- DTXSID
DTXSID60165366- Nikkaji
- J99.565G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 106 · 106-108 °C(Press: 10 Torr)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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