Basic information
- CAS
128666-06-8- Standard SMILES
CCCCC(CC)C(=O)NCC- InChIKey
XLCGTKDLMYYKMD-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- N,2-Diethylhexanamide
- IUPAC
- N,2-diethylhexanamide
Names & synonyms
N,2-DiethylhexanamideHexanamide, N,2-diethyl-SCHEMBL3911707SCHEMBL4870152SCHEMBL4870155SCHEMBL5212138NIOSH/MN7910000XLCGTKDLMYYKMD-UHFFFAOYSA-NDTXSID301314837AKOS003873197128666-06-8MN79100000
Database identifiers
- CAS
128666-06-8- PubChem CID
- 3028554
- DTXSID
DTXSID301314837
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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