Basic information
- CAS
775235-49-9- Standard SMILES
CCCCCCC(I)CCC(I)CCCCCCCC(=O)O- InChIKey
ITMYMILZKSEQKJ-UHFFFAOYSA-N- Molecular formula
- C18H34I2O2
- Average molar mass
- 536.3 g/mol
- Monoisotopic mass
- 536.06483
Names & identifiers
- Preferred name
- Diiodostearate
- IUPAC
- 9,12-diiodooctadecanoic acid
Names & synonyms
DiiodostearateRefChem:1083644Diiodostearic acid9,12-diiodooctadecanoic AcidOctadecanoic acid, 9,12-diiodo-UNII-LQU35BX43SLQU35BX43S775235-49-9CHEMBL2110874SCHEMBL284475839,12-DIIODOSTEARIC ACIDDIIODOSTEARIC ACID [WHO-DD]
Show more names
(+/-)-9,12-DIIODOSTEARIC ACIDQ27283133
Database identifiers
- CAS
775235-49-9- PubChem CID
- 2525
- ChEMBL
CHEMBL2110874- UNII
- LQU35BX43S
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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