Basic information
- CAS
89752-02-3- Standard SMILES
CC(C=O)CCCCC=O- InChIKey
CEWCLVWWMXFUQL-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2-Methylheptanedial
- IUPAC
- 2-methylheptanedial
Names & synonyms
2-METHYLHEPTANEDIAL89752-02-3DTXSID70549355RefChem:263843DTXCID80500139SCHEMBL1227977SCHEMBL10522037
Database identifiers
- CAS
89752-02-3- PubChem CID
- 13782876
- DTXSID
DTXSID70549355- Nikkaji
- J1.994.475A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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