3-Methylpentanedial
Basic information
- CAS
6280-15-5- Standard SMILES
CC(CC=O)CC=O- InChIKey
LUNMJPAJHJAGIS-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- 3-Methylpentanedial
- IUPAC
- 3-methylpentanedial
- English name
- 3-Methylpentanedial
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
3-methylpentanedial3-MethylglutaraldehydePentanedial, 3-methyl-3-Methyl pentanedialGlutaraldehyde, 3-methyl-3-Methyl glutaraldehyde3-Methylglutardialdehyde3-Methyl-1,5-pentadialCHG2NY1C09NSC 11063BRN 1739740NSC-11063
Show more names
UNII-CHG2NY1C09DTXSID402118954-01-00-03694 (Beilstein Handbook Reference)RefChem:94948Pentanedial, 3-methyl-(9CI)DTXCID701343866280-15-53-methyl-pentanedial
Database identifiers
- CAS
6280-15-5- PubChem CID
- 80473
- DTXSID
DTXSID40211895- UNII
- CHG2NY1C09
- Nikkaji
- J35.145H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.6
Physicochemical properties
- Boiling point
- 166 °C · 166°C (estimate)
- Density
- 0.9903 · 0.9903 (rough estimate)
- refractive index
- 1.403 · 1.4030 (estimate)
- FDA UNII
- 2 NY1C09 · CHG2NY1C09
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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