Methyl 2-methoxy-6-(8-nonyn-1-yl)benzoate
Basic information
- CAS
186670-53-1- Standard SMILES
C#CCCCCCCCc1cccc(OC)c1C(=O)OC- InChIKey
YKVUSVXPDMXXDI-UHFFFAOYSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.17254462
Names & identifiers
- Preferred name
- Methyl 2-methoxy-6-(8-nonyn-1-yl)benzoate
- IUPAC
- methyl 2-methoxy-6-non-8-ynylbenzoate
Names & synonyms
Methyl 2-methoxy-6-(8-nonyn-1-yl)benzoate186670-53-1RefChem:354355DTXSID401270230Methyl 2-methoxy-6-(non-8-yn-1-yl)benzoate
Database identifiers
- CAS
186670-53-1- PubChem CID
- 85713480
- DTXSID
DTXSID401270230
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…