1-Adamantanebutyric acid, gamma-oxo-
Basic information
- CAS
15037-75-9- Standard SMILES
O=C(O)CCC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
JOMLUJFKSUOYTA-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- 1-Adamantanebutyric acid, gamma-oxo-
- IUPAC
- 4-(1-adamantyl)-4-oxobutanoic acid
- English name
- gamma-Oxo-1-adamantanebutyric acid
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
15037-75-9gamma-Oxo-1-adamantanebutyric acid1-Adamantanebutyric acid, gamma-oxo-BRN 2652660Ac. beta-(1-Adamantoil)propionicoAc. beta-(1-Adamantoil)propionico [Italian]DTXSID40164534RefChem:227377DTXCID50870254-(1-adamantyl)-4-oxobutanoic acid4-(ADAMANTAN-1-YL)-4-OXOBUTANOIC ACIDOprea1_563915
Show more names
1-(3-Carboxy-propionyl)-adamantan4-(1-Adamantyl)-4-oxobutyric acidTricyclo[3.3.1.13,7]decane-1-butanoic acid, γ-oxo-
SCHEMBL14341887b-(1-adamantylcarbonyl)propionic acidAKOS004119318EU-0068073SR-01000399352SR-01000399352-1
Database identifiers
- CAS
15037-75-9- PubChem CID
- 64171
- DTXSID
DTXSID40164534- Nikkaji
- J73.380F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 82 · 82-85 °C(Solvent: Ligroine)
- Boiling point
- 396.269 · 396.269±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.811 · 4.811±0.17(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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