Basic information
- CAS
83823-96-5- Standard SMILES
COC(=O)c1c(CCCCCCCCO)cccc1OC- InChIKey
WCURXQBYBBNFBI-UHFFFAOYSA-N- Molecular formula
- C17H26O4
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.18310931
Names & identifiers
- Preferred name
- Methyl 2-(8-hydroxyoctyl)-6-methoxybenzoate
- IUPAC
- methyl 2-(8-hydroxyoctyl)-6-methoxybenzoate
Names & synonyms
METHYL 2-(8-HYDROXYOCTYL)-6-METHOXYBENZOATE83823-96-5DTXSID80834300RefChem:353879DTXCID007850422-(8-hydroxy-octyl)-6-methoxy-benzoic acid methyl ester
Database identifiers
- CAS
83823-96-5- PubChem CID
- 71414865
- DTXSID
DTXSID80834300
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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