Ethyl 2,2-dimethyloctanoate
Basic information
- CAS
59415-01-9- Standard SMILES
CCCCCCC(C)(C)C(=O)OCC- InChIKey
SDPOPABRGIAPNC-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Overview
See also: Octanoic acid, 2,2-dimethyl-, ethyl ester (annotation moved to); Octanoic acid, dimethyl-, ethyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 2,2-dimethyloctanoate
- IUPAC
- ethyl 2,2-dimethyloctanoate
- English name
- ethyl 2,2-dimethyloctanoate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
Ethyl 2,2-dimethyloctanoate59415-01-9Ethyl dimethyloctanoateEINECS 261-754-6EINECS 304-248-3SCHEMBL27208992,2-dimethyl-octanoic acid ethyl esterDB-307923NS0005686994247-78-62,2-Dimethyloctanoic acid ethyl esterOctanoic acid, 2,2-dimethyl-, ethyl ester
Database identifiers
- CAS
59415-01-9、94247-78-6- PubChem CID
- 101052
- DTXSID
DTXSID50915913- EC Number
- 261-754-6、304-248-3
- Nikkaji
- J298.154H
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 162
Physicochemical properties
- Boiling point
- 59 °C · 59 °C(Press: 3 Torr)
- Density
- 0.8632 g/cm3 · 0.8632 g/cm3
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Related reactions
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Compound notes
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