Methyl 4,6-dimethylnonanoate
Basic information
- CAS
55955-66-3- Standard SMILES
CCCC(C)CC(C)CCC(=O)OC- InChIKey
IGNAJZBXZRMGOV-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Methyl 4,6-dimethylnonanoate
- IUPAC
- methyl 4,6-dimethylnonanoate
- English name
- 4,6-Dimethylnonanoic acid methyl ester
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
Methyl 4,6-dimethylnonanoate55955-66-3Nonanoic acid, 4,6-dimethyl-, methyl esterDTXSID80339941RefChem:355258DTXCID50291022IGNAJZBXZRMGOV-UHFFFAOYSA-NMethyl 4,6-dimethylnonanoate #4,6-Dimethylnonanoic acid methyl ester
Database identifiers
- CAS
55955-66-3- PubChem CID
- 560171
- DTXSID
DTXSID80339941- Nikkaji
- J119.198E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
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Related reactions
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Compound notes
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