Basic information
- Standard SMILES
COC(=O)C12CC3CC(C1)C(=O)C(C3)C2- InChIKey
DUPFRYAOGHZOCO-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
Names & identifiers
- Preferred name
- Methyl 4-oxoadamantane-1-carboxylate
- IUPAC
- methyl 4-oxoadamantane-1-carboxylate
Names & synonyms
methyl 4-oxoadamantane-1-carboxylate56674-88-54-oxoadamantane-1-carboxylic acid methyl estermethyl 2-adamantanone-5-carboxylateMFCD00181718Methyl 4-oxoadamantan-1-carboxylate4-Oxo-adamantane-1-carboxylic acid methyl esterMethyl 4-oxo-1-adamantanecarboxylateEnamine_001936Oprea1_682188SCHEMBL748725-carbomethoxy-2-adamantanone
Show more names
HMS1399H22GCA67488methyl4-oxoadamantane-1-carboxylateAKOS022186012CS-W001596AS-67051DB-2632384-oxo-adamantan-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 4078246
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Related reactions
11 records
Compound notes
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