1,5-Dimethylbicyclo(3.2.1)oct-8-yl isobutyrate
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Basic information
- CAS
72903-10-7- Standard SMILES
CC(C)C(=O)OC1C2(C)CCCC1(C)CC2- InChIKey
KHQBRKIBDIDREL-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Overview
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Names & identifiers
- Preferred name
- 1,5-Dimethylbicyclo(3.2.1)oct-8-yl isobutyrate
- IUPAC
- (1,5-dimethyl-8-bicyclo[3.2.1]octanyl) 2-methylpropanoate
- English name
- 1,5-dimethylbicyclo[3.2.1]oct-8-yl isobutyrate
- Molecular formula
- C14H24O2
- Molecular weight
- 224.33916
Names & synonyms
EINECS 276-977-41,5-Dimethylbicyclo(3.2.1)oct-8-yl isobutyrate72903-10-7DTXSID40993684KHQBRKIBDIDREL-UHFFFAOYSA-N1,5-DIMETHYLBICYCLO[3.2.1]OCTAN-8-YL 2-METHYLPROPANOATENS000615401,5-dimethylbicyclo[3.2.1]oct-8-yl isobutyrate2-Methylpropanoic acid 1,5-dimethylbicyclo[3.2.1]octan-8-yl ester
Database identifiers
- CAS
72903-10-7- PubChem CID
- 44149486
- DTXSID
DTXSID40993684- EC Number
- 276-977-4
- Nikkaji
- J318.882E
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
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Compound notes
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