2-Ethylhexyl 2-methylpentanoate
Basic information
- CAS
6641-73-2- Standard SMILES
CCCCC(CC)COC(=O)C(C)CCC- InChIKey
URLXXEYFQAJCPZ-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 2-Ethylhexyl 2-methylpentanoate
- IUPAC
- 2-ethylhexyl 2-methylpentanoate
- English name
- 2-ethylhexyl 2-methylpentanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 0
Names & synonyms
6641-73-2NSC 179382-ethylhexyl 2-methylpentanoateNSC17938SCHEMBL7219456DTXSID50280693URLXXEYFQAJCPZ-UHFFFAOYSA-NNSC-179382-Methylvaleric acid, 2-ethylhexyl ester
Database identifiers
- CAS
6641-73-2- PubChem CID
- 226950
- DTXSID
DTXSID50280693
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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