2-Methyl-1-nonen-3-one
Basic information
- CAS
51756-19-5- Standard SMILES
C=C(C)C(=O)CCCCCC- InChIKey
WHWHBFHLUBEVBD-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 2-Methyl-1-nonen-3-one
- IUPAC
- 2-methylnon-1-en-3-one
- English name
- 2-Methyl-1-nonen-3-one
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
2-Methyl-1-nonen-3-one2-methylnon-1-en-3-one1-Nonen-3-one, 2-methyl-2-methyl-non-1-en-3-one2-Methyl-1-nonen-3-one #SCHEMBL3679203SCHEMBL11152095SCHEMBL28565937DTXSID00336614WHWHBFHLUBEVBD-UHFFFAOYSA-N
Database identifiers
- CAS
51756-19-5- PubChem CID
- 534982
- DTXSID
DTXSID00336614- Nikkaji
- J113.177J
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 136
Physicochemical properties
- Boiling point
- 105 · 105-108 °C(Press: 20 Torr)
- Density
- 0.831 · 0.831±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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