Basic information
- CAS
106811-46-5- Standard SMILES
CCCCOc1ccc(C)c(C)c1- InChIKey
SIUBWVCNWVTXLG-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 4-Butoxy-1,2-dimethylbenzene
- IUPAC
- 4-butoxy-1,2-dimethylbenzene
Names & synonyms
Benzene, 4-butoxy-1,2-dimethyl-106811-46-54-BUTOXY-1,2-DIMETHYLBENZENEButyl 3,4-dimethylphenyl etherSCHEMBL11365687DTXSID10549354SIUBWVCNWVTXLG-UHFFFAOYSA-N
Database identifiers
- CAS
106811-46-5- PubChem CID
- 13782837
- DTXSID
DTXSID10549354
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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