Basic information
- CAS
54984-07-5- Standard SMILES
CCC(C)CC(C)CC(C)C(=O)OC- InChIKey
RBRLRKACDFDWRL-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Methyl 2,4,6-trimethyloctanoate
- IUPAC
- methyl 2,4,6-trimethyloctanoate
- English name
- 2,4,6-Trimethyloctanoic acid methyl ester
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
Methyl 2,4,6-trimethyloctanoate54984-07-5DTXSID50339973RefChem:353637DTXCID20291054Octanoic acid, 2,4,6-trimethyl-, methyl ester2,4,6-Trimethyloctanoic acid methyl esterSCHEMBL5796422RBRLRKACDFDWRL-UHFFFAOYSA-NMethyl 2,4,6-trimethyloctanoate #DB-302324
Database identifiers
- CAS
54984-07-5- PubChem CID
- 560461
- DTXSID
DTXSID50339973- Nikkaji
- J99.608D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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