1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetoacetate
Basic information
- CAS
147974-78-5- Standard SMILES
CC(=O)CC(=O)OC1CC2CCC1(C)C2(C)C- InChIKey
RGHAHCRVPZUAPH-UHFFFAOYSA-N- Molecular formula
- C14H22O3
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.15689456
Overview
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Names & identifiers
- Preferred name
- 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetoacetate
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-oxobutanoate
- English name
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetoacetate
- Molecular formula
- C14H22O3
- Molecular weight
- 238.32268
Names & synonyms
92372-05-91,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetoacetate1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ACETOACETATEbornyl aceto acetateEINECS 296-231-1(-)-bornyl acetoacetateSCHEMBL8751689DTXSID609332691,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 3-OXOBUTANOATENS00064644147974-78-53-Oxobutanoic acid 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl ester
Database identifiers
- CAS
147974-78-5、54717-80-5、92372-05-9- PubChem CID
- 108258
- DTXSID
DTXSID60933269- EC Number
- 296-231-1
- Nikkaji
- J333.383C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- LogP
- 3.098 · 3.098 (est)
Related reactions
0 records
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Compound notes
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