Basic information
- Standard SMILES
COC(=O)CC(C)CCCCI- InChIKey
HOLXLNLZLRQLRP-UHFFFAOYSA-N- Molecular formula
- C9H17IO2
- Average molar mass
- 284.13 g/mol
- Monoisotopic mass
- 284.02733
Names & identifiers
- Preferred name
- Methyl 3-methyl-7-iodoheptanoate
- IUPAC
- methyl 7-iodo-3-methylheptanoate
Names & synonyms
SCHEMBL11587934methyl 3-methyl-7-iodoheptanoateHOLXLNLZLRQLRP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20322201
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Related reactions
5 records
Compound notes
Loading…