Methyl 11-iodoundecanoate
Basic information
- CAS
929-33-9- Standard SMILES
COC(=O)CCCCCCCCCCI- InChIKey
BVPACBLWIHBMNE-UHFFFAOYSA-N- Molecular formula
- C12H23IO2
- Average molar mass
- 326.21 g/mol
- Monoisotopic mass
- 326.07428
Names & identifiers
- Preferred name
- Methyl 11-iodoundecanoate
- IUPAC
- methyl 11-iodoundecanoate
Names & synonyms
Methyl 11-iodoundecanoate929-33-9DTXSID90403268RefChem:353438DTXCID10354122Undecanoic acid, 11-iodo-, methyl esterSCHEMBL1744907BVPACBLWIHBMNE-UHFFFAOYSA-N11-Iodo Undecanoic Acid Methyl EsterAKOS024354408DB-187625ST50981061
Database identifiers
- CAS
929-33-9- PubChem CID
- 4435971
- DTXSID
DTXSID90403268- Nikkaji
- J1.337.018D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
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Related reactions
4 records
Compound notes
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