5-[(But-3-en-2-yl)oxy]-1,3-dimethoxy-2-methylbenzene
Basic information
- CAS
831170-94-6- Standard SMILES
C=CC(C)Oc1cc(OC)c(C)c(OC)c1- InChIKey
LBGIGGQMWMVEGX-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 5-[(But-3-en-2-yl)oxy]-1,3-dimethoxy-2-methylbenzene
- IUPAC
- 5-but-3-en-2-yloxy-1,3-dimethoxy-2-methylbenzene
- English name
- Benzene, 1,?3-?dimethoxy-?2-?methyl-?5-?[(1-?methyl-?2-?propen-?1-?yl)?oxy]?-
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
831170-94-65-[(But-3-en-2-yl)oxy]-1,3-dimethoxy-2-methylbenzeneDTXSID80699653Benzene, 1,3-dimethoxy-2-methyl-5-[(1-methyl-2-propen-1-yl)oxy]-
Database identifiers
- CAS
831170-94-6- PubChem CID
- 53427828
- DTXSID
DTXSID80699653
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 316.6 · 316.6±37.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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