Basic information
- CAS
55538-61-9- Standard SMILES
CCCCC(=O)OC1C2(C)CCC(C2)C1(C)C- InChIKey
ZNDQBRJIQWIGOF-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
- IUPAC
- (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate
- English name
- Valeric acid 1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl ester
- Molecular formula
- C15H26O2
- Molecular weight
- 238.37
Names & synonyms
55538-61-91,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl pentanoateDTXSID30339592ZNDQBRJIQWIGOF-UHFFFAOYSA-NPentanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl esterDB-2500341,3,3-Trimethylbicyclo[2.2.1]hept-2-yl valerate1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate #pentanoate-1,3,3-trimethyl-bicyclo [2,2,1] hept-2-yl-esterValeric acid 1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl ester
Database identifiers
- CAS
55538-61-9- PubChem CID
- 557136
- DTXSID
DTXSID30339592- Nikkaji
- J99.756K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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