Cyclohexanecarboxylic acid, 4-propyl-, 4-propylcyclohexyl ester
Basic information
- CAS
73255-62-6- Standard SMILES
CCCC1CCC(OC(=O)C2CCC(CCC)CC2)CC1- InChIKey
LSBXJRCCLBEZEV-UHFFFAOYSA-N- Molecular formula
- C19H34O2
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.25588032
Overview
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Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-propyl-, 4-propylcyclohexyl ester
- IUPAC
- (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate
Names & synonyms
73255-62-6SCHEMBL7900514SCHEMBL7900518SCHEMBL7908266SCHEMBL10759371LSBXJRCCLBEZEV-OPMHRUBESA-NDTXSID901181266Cyclohexanecarboxylic acid, 4-propyl-, 4-propylcyclohexyl ester4-Propylcyclohexyl 4-propylcyclohexanecarboxylate #trans-4-propylcyclohexyl trans-4-propylcyclohexanecarboxylate(1s,4r)-4-Propylcyclohexyl (1s,4r)-4-propylcyclohexane-1-carboxylate
Database identifiers
- CAS
73255-62-6- PubChem CID
- 598625
- DTXSID
DTXSID901181266- Nikkaji
- J676.445B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
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Compound notes
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