Hexyl 2-methylpent-2-enoate
Basic information
- CAS
58625-97-1- Standard SMILES
CCC=C(C)C(=O)OCCCCCC- InChIKey
YYOHXOVPDMMXMP-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Hexyl 2-methylpent-2-enoate
- IUPAC
- hexyl 2-methylpent-2-enoate
Names & synonyms
HEXYL 2-METHYLPENT-2-ENOATE58625-97-1SCHEMBL236897DTXSID50712025
Database identifiers
- CAS
58625-97-1- PubChem CID
- 54534089
- DTXSID
DTXSID50712025
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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