Basic information
- CAS
55193-79-8- Standard SMILES
CCCCCCCCCCCCC(C)OC(=O)CCCCCCC- InChIKey
QXSNVCKPMDUHJU-UHFFFAOYSA-N- Molecular formula
- C22H44O2
- Average molar mass
- 340.6 g/mol
- Monoisotopic mass
- 340.33413064
Names & identifiers
- Preferred name
- Octanoic acid, 2-tetradecyl ester
- IUPAC
- tetradecan-2-yl octanoate
- English name
- 2-Tetradecanol octanoate
- Molecular formula
- C22H44O2
- Molecular weight
- 340.58
Names & synonyms
55193-79-8tetradecan-2-yl octanoateOctanoic acid, 2-tetradecyl ester2-Tetradecanol octanoateoctanoic acid 1-methyltridecyl esterMETHYLTRIDECYLOCTANOATE1-Methyltridecyl octanoate #DTXSID30970520QXSNVCKPMDUHJU-UHFFFAOYSA-NOctanoic acid, 1-methyltridecyl esterDB-251658
Database identifiers
- CAS
55193-79-8- PubChem CID
- 41358
- DTXSID
DTXSID30970520- Nikkaji
- J108.927G
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 381.5 · 381.5±10.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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