Basic information
- CAS
55320-57-5- Standard SMILES
CCCC(C)(C)CC=O- InChIKey
IHEORNQYISDNQZ-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 3,3-Dimethylhexanal
- IUPAC
- 3,3-dimethylhexanal
- English name
- 3,3-Dimethylhexanal
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3,3-Dimethylhexanal55320-57-5DTXSID70339758RefChem:1065637DTXCID10290839Hexanal, 3,3-dimethyl-3,3-Dimethylhexanal #SCHEMBL1410791SCHEMBL1410793HEXANAL, 3,3-DIMETHYLSCHEMBL23529498DB-304030
Database identifiers
- CAS
55320-57-5- PubChem CID
- 558458
- DTXSID
DTXSID70339758- Nikkaji
- J108.746K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.6
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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