Basic information
- Standard SMILES
O=C(Cl)CCC12CC3CC(CC(C3)C1)C2- InChIKey
XLSNMERJQIAAOV-UHFFFAOYSA-N- Molecular formula
- C13H19ClO
- Average molar mass
- 226.74 g/mol
- Monoisotopic mass
- 226.1124429
Names & identifiers
- Preferred name
- 3-(1-Adamantyl)propanoyl chloride
- IUPAC
- 3-(1-adamantyl)propanoyl chloride
Names & synonyms
SCHEMBL3763631XLSNMERJQIAAOV-UHFFFAOYSA-N3-(1-adamantyl)propanoyl chloride
Database identifiers
- PubChem CID
- 15533306
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
Loading…