Basic information
- Standard SMILES
C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1- InChIKey
CBFGEORXWXEHBL-UHFFFAOYSA-N- Molecular formula
- C18H30O4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.21440943
Names & identifiers
- Preferred name
- 4-Propyl-cyclohexanecarboxylic acid 4-(2-methyl-acryloyloxy)-butyl ester
- IUPAC
- 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate
Names & synonyms
SCHEMBL803493CBFGEORXWXEHBL-UHFFFAOYSA-N4-Propyl-cyclohexanecarboxylic acid 4-(2-methyl-acryloyloxy)-butyl ester
Database identifiers
- PubChem CID
- 59289063
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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