2-Methyl-4-nonanone
Basic information
- CAS
6627-76-5- Standard SMILES
CCCCCC(=O)CC(C)C- InChIKey
RZKJRTYHOUYGGM-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2-Methyl-4-nonanone
- IUPAC
- 2-methylnonan-4-one
- English name
- 2-Methyl-4-nonanone
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
2-METHYL-4-NONANONE6627-76-5DTXSID70289305RefChem:88141DTXCID702404512-methylnonan-4-oneNSC60227SCHEMBL2092637SCHEMBL2092642SCHEMBL29165135RZKJRTYHOUYGGM-UHFFFAOYSA-NNSC 60227
Show more names
4-Nonanone, 2-methyl-
NSC-60227AKOS011914917DB-054901
Database identifiers
- CAS
6627-76-5- PubChem CID
- 246758
- DTXSID
DTXSID70289305- Nikkaji
- J1.475.145I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -3.45 °C · -3.45°C (estimate)
- Boiling point
- 205.54 °C · 205.54°C (estimate)
- Density
- 0.8284 · 0.8284 (estimate)
- refractive index
- 1.4235 · 1.4235 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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