5-Ethylnonan-2-yl 2-methylpentanoate
Basic information
- CAS
6641-78-7- Standard SMILES
CCCCC(CC)CCC(C)OC(=O)C(C)CCC- InChIKey
MXZHCZGNRQLDOJ-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Names & identifiers
- Preferred name
- 5-Ethylnonan-2-yl 2-methylpentanoate
- IUPAC
- 5-ethylnonan-2-yl 2-methylpentanoate
- English name
- 5-ethylnonan-2-yl 2-methylpentanoate
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
6641-78-75-ethylnonan-2-yl 2-methylpentanoateNSC17952DTXSID60280700NSC-17952Pentanoic acid, 2-methyl-, 4-ethyl-1-methyloctyl ester
Database identifiers
- CAS
6641-78-7- PubChem CID
- 226963
- DTXSID
DTXSID60280700
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 295.4 · 295.4±8.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
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Compound notes
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