Basic information
- Standard SMILES
C#CC(Oc1cc(C(=O)OC)cc(OC)c1OC)C1CC1- InChIKey
UXOJPKWHYOWIOX-UHFFFAOYSA-N- Molecular formula
- C16H18O5
- Average molar mass
- 290.31 g/mol
Names & identifiers
- Preferred name
- methyl (RS)-3-(1-cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoate
- IUPAC
- methyl 3-(1-cyclopropylprop-2-ynoxy)-4,5-dimethoxybenzoate
Names & synonyms
SCHEMBL5657658UXOJPKWHYOWIOX-UHFFFAOYSA-N3-(1-cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester192315-04-1DB-217564methyl (RS)-3-(1-cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoate
Database identifiers
- PubChem CID
- 54377500
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
4 records
Compound notes
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