2-Methyl-5-propan-2-ylnonane-4,6-dione
Basic information
- CAS
6303-85-1- Standard SMILES
CCCC(=O)C(C(=O)CC(C)C)C(C)C- InChIKey
HUZRODQHVRTSTG-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 2-Methyl-5-propan-2-ylnonane-4,6-dione
- IUPAC
- 2-methyl-5-propan-2-ylnonane-4,6-dione
Names & synonyms
6303-85-12-methyl-5-propan-2-ylnonane-4,6-dione2-methyl-5-(propan-2-yl)nonane-4,6-dioneNSC428944,6-Nonanedione,2-methyl-5-(1-methylethyl)-DTXSID80285818NSC-42894DS-014647
Database identifiers
- CAS
6303-85-1- PubChem CID
- 238516
- DTXSID
DTXSID80285818
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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