Basic information
- Standard SMILES
CCCCCCCCCCCCCC(I)CC(=O)O- InChIKey
NCMJGOFMXHKQDT-UHFFFAOYSA-N- Molecular formula
- C16H31IO2
- Average molar mass
- 382.32 g/mol
Names & identifiers
- Preferred name
- 3-Iodo-hexadecanoic acid
- IUPAC
- 3-iodohexadecanoic acid
Names & synonyms
3-iodo-hexadecanoic acidHexadecanoic acid, 3-iodo-3-iodohexadecanoic acidLMFA01090038SCHEMBL367239NCMJGOFMXHKQDT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 5312958
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Related reactions
1 records
Compound notes
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