Benzoic acid, 2-(allyloxy)-3,5-dipropyl-, methyl ester
Basic information
- CAS
7192-45-2- Standard SMILES
C=CCOc1c(CCC)cc(CCC)cc1C(=O)OC- InChIKey
WXPMMBRGRMMZIO-UHFFFAOYSA-N- Molecular formula
- C17H24O3
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.17254462
Names & identifiers
- Preferred name
- Benzoic acid, 2-(allyloxy)-3,5-dipropyl-, methyl ester
- IUPAC
- methyl 2-prop-2-enoxy-3,5-dipropylbenzoate
Names & synonyms
Methyl 2-allyloxy-3,5-dipropylbenzoateBRN 26202907192-45-22-Allyloxy-3,5-dipropylbenzoic acid methyl esterBENZOIC ACID, 2-(ALLYLOXY)-3,5-DIPROPYL-, METHYL ESTERDTXSID00222189RefChem:326788DTXCID50144680Methyl 2-[(prop-2-en-1-yl)oxy]-3,5-dipropylbenzoate
Database identifiers
- CAS
7192-45-2- PubChem CID
- 23585
- DTXSID
DTXSID00222189- Nikkaji
- J73.817D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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