4-Ethyl-2-methyloct-2-enoic acid
Basic information
- CAS
6975-97-9- Standard SMILES
CCCCC(C=C(C)C(=O)O)CC- InChIKey
IELNITCVUCUISP-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 4-Ethyl-2-methyloct-2-enoic acid
- IUPAC
- 4-ethyl-2-methyloct-2-enoic acid
Names & synonyms
(E)-4-ethyl-2-methyl-oct-2-enoic acid4-ethyl-2-methyloct-2-enoic acidSCHEMBL25358201DTXSID80989920
Database identifiers
- CAS
6975-97-9- PubChem CID
- 228013
- DTXSID
DTXSID80989920
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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