2-Ethylhexyl 2-methylbutyrate
Basic information
- CAS
94200-09-6- Standard SMILES
CCCCC(CC)COC(=O)C(C)CC- InChIKey
CQIXPDMUKZPTPX-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 2-Ethylhexyl 2-methylbutyrate
- IUPAC
- 2-ethylhexyl 2-methylbutanoate
- English name
- 2-ethylhexyl 2-methylbutyrate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34434
Names & synonyms
2-Ethylhexyl 2-methylbutyrate94200-09-6EINECS 303-486-52-ethylhexyl 2-methylbutanoateSCHEMBL1108109DTXSID90916186CQIXPDMUKZPTPX-UHFFFAOYSA-NNS000652522-Methylbutyric acid 2-ethylhexyl ester(2-ethyl-hexyl ester) of/the/ (-)(R)-methylethylacetic acid
Database identifiers
- CAS
94200-09-6- PubChem CID
- 3023949
- DTXSID
DTXSID90916186- EC Number
- 303-486-5
- Nikkaji
- J319.075G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- LogP
- 5.059 · 5.059 (est)
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Compound notes
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