Basic information
- CAS
33716-47-1- Standard SMILES
CC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
AESZJBFFCVPITC-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- 2-(Adamantan-1-yl)-2-oxoethyl acetate
- IUPAC
- [2-(1-adamantyl)-2-oxoethyl] acetate
Names & synonyms
33716-47-1DTXSID009553292-(ADAMANTAN-1-YL)-2-OXOETHYL ACETATERefChem:1061423DTXCID601383328(3-Adamantylcarbonyl)methyl acetateBRN 1881997ACETIC ACID, (3-ADAMANTYLCARBONYL)METHYL ESTER
Database identifiers
- CAS
33716-47-1- PubChem CID
- 36587
- DTXSID
DTXSID00955329- Nikkaji
- J85.175B
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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