Basic information
- CAS
100482-43-7- Standard SMILES
C=C(C)Cc1c(CCC)cc(C(=O)OCC)cc1CCC- InChIKey
HWIXDIXLHKCHDY-UHFFFAOYSA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893013
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester
- IUPAC
- ethyl 4-(2-methylprop-2-enyl)-3,5-dipropylbenzoate
Names & synonyms
3,5-Dipropyl-4-(2-methylallyl)benzoic acid ethyl esterEthyl 4-methallyloxy-3,5-dipropylbenzoateBENZOIC ACID, 3,5-DIPROPYL-4-(2-METHYLALLYL)-, ETHYL ESTER100482-43-7DTXSID00143325RefChem:327101DTXCID4065816ethyl 4-(2-methylprop-2-en-1-yl)-3,5-dipropylbenzoate
Database identifiers
- CAS
100482-43-7- PubChem CID
- 57902
- DTXSID
DTXSID00143325- Nikkaji
- J83.388F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…