17-Iodo-3,3-dimethylheptadecanoic acid
Basic information
- CAS
126513-77-7- Standard SMILES
CC(C)(CCCCCCCCCCCCCCI)CC(=O)O- InChIKey
BWLXURUXFKOLIS-UHFFFAOYSA-N- Molecular formula
- C19H37IO2
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.18383
Overview
structure given in first source
Names & identifiers
- Preferred name
- 17-Iodo-3,3-dimethylheptadecanoic acid
- IUPAC
- 17-iodo-3,3-dimethylheptadecanoic acid
- English name
- 17-iodo-3,3-dimethylheptadecanoic acid
- Molecular formula
- C19H37IO2
- Molecular weight
- 424.4
Names & synonyms
17-Iodo-3,3-dimethylheptadecanoic acid126513-77-717-IdhdaDTXSID40155200RefChem:79223DTXCID007769117-iodo-3,3-dimethyl heptadecanoic acidHeptadecanoic acid, 17-iodo-3,3-dimethyl-
Database identifiers
- CAS
126513-77-7- PubChem CID
- 195482
- DTXSID
DTXSID40155200
Properties
Computed structural properties
- XLogP
- 9.2
- 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
- 264
Physicochemical properties
- Boiling point
- 467.9 · 467.9±18.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.10(Predicted)
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Related reactions
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Compound notes
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