2,2-Dimethyloctanal
Basic information
- CAS
14250-91-0- Standard SMILES
CCCCCCC(C)(C)C=O- InChIKey
KVGYAHNHKCCHSP-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2,2-Dimethyloctanal
- IUPAC
- 2,2-dimethyloctanal
Names & synonyms
2,2-DIMETHYLOCTANAL14250-91-0DTXSID10598968RefChem:243585DTXCID00549727Octanal, 2,2-dimethyl-dimethyloctanal2,2-dimethyl-octanalSCHEMBL574091SCHEMBL1410606
Database identifiers
- CAS
14250-91-0- PubChem CID
- 19601697
- DTXSID
DTXSID10598968
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
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Compound notes
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