Basic information
- CAS
22509-75-7- Standard SMILES
CC#CCOc1cc(C)cc(C)c1- InChIKey
UJVMVZONKHQDHV-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 1-(But-2-yn-1-yloxy)-3,5-dimethylbenzene
- IUPAC
- 1-but-2-ynoxy-3,5-dimethylbenzene
Names & synonyms
22509-75-7NSC 865951-(but-2-yn-1-yloxy)-3,5-dimethylbenzeneNSC86595Benzene,1-(2-butyn-1-yloxy)-3,5-dimethyl-SCHEMBL17213581DTXSID80292966NSC-86595AKOS0145359851-(2-Butyn-1-yloxy)-3,5-dimethylbenzene1-[(But-2-yn-1-yl)oxy]-3,5-dimethylbenzene
Database identifiers
- CAS
22509-75-7- PubChem CID
- 257965
- DTXSID
DTXSID80292966- Nikkaji
- J1.966.499F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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