8-Methylnonyl octadec-9-enoate
Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC(C)C- InChIKey
ODMZDMMTKHXXKA-UHFFFAOYSA-N- Molecular formula
- C28H54O2
- Average molar mass
- 422.7 g/mol
- Monoisotopic mass
- 422.41238096
Names & identifiers
- Preferred name
- 8-Methylnonyl octadec-9-enoate
- IUPAC
- 8-methylnonyl octadec-9-enoate
Names & synonyms
8-methylnonyl octadec-9-enoateSCHEMBL33904DTXSID00866749
Database identifiers
- PubChem CID
- 94587
- DTXSID
DTXSID00866749
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 373
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Related reactions
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Compound notes
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