Basic information
- Standard SMILES
CCCC(=O)CC(=O)CC- InChIKey
PJEPOHXMGDEIMR-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3,5-Octanedione
- IUPAC
- octane-3,5-dione
- English name
- octane-3,5-dione
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Octane-3,5-dione3,5-Octanedione6320-18-9DTXSID20212562RefChem:1065959DTXCID50135053228-671-7NSC-318905-octanedione3,5-octandioneNSC31890EINECS 228-671-7
Show more names
AI3-19264YLK22WU5KMSCHEMBL451525NSC 31890AKOS004115518NS00035363
Database identifiers
- CAS
6320-18-9- PubChem CID
- 80602
- DTXSID
DTXSID20212562- UNII
- YLK22WU5KM
- EC Number
- 228-671-7
- Nikkaji
- J206.915F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- LogP
- 1.798 · 1.798 (est)
Chemistry & industry
Suppliers2 total
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Linked notes
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