4-Adamantan-1-yl-nonan-5-one
Basic information
- CAS
696648-07-4- Standard SMILES
CCCCC(=O)C(CCC)C12CC3CC(CC(C3)C1)C2- InChIKey
QOXSCGSZICRGQZ-UHFFFAOYSA-N- Molecular formula
- C19H32O
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 276.24531564
Names & identifiers
- Preferred name
- 4-Adamantan-1-yl-nonan-5-one
- IUPAC
- 4-(1-adamantyl)nonan-5-one
Names & synonyms
4-Adamantan-1-yl-nonan-5-one4-(ADAMANTAN-1-YL)NONAN-5-ONE4-adamantanylnonan-5-one4-(1-Adamantyl)-5-nonanone #QOXSCGSZICRGQZ-UHFFFAOYSA-NDTXSID401272800STK683410AKOS005597624696648-07-4ST41036844-Tricyclo[3.3.1.13,7]dec-1-yl-5-nonanone4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)nonan-5-one
Database identifiers
- CAS
696648-07-4- PubChem CID
- 585196
- DTXSID
DTXSID401272800
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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