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Compound
1-Iodo-3,3-dimethylbut-1-ene
HCID
57246993
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Basic information
CAS
61382-45-4
Standard SMILES
CC(C)(C)C=CI
InChIKey
PPXNRHIBULESIZ-UHFFFAOYSA-N
Molecular formula
C6H11I
Average molar mass
210.06 g/mol
Monoisotopic mass
209.99054835
Names & identifiers
Preferred name
1-Iodo-3,3-dimethylbut-1-ene
IUPAC
1-iodo-3,3-dimethylbut-1-ene
Names & synonyms
1-Iodo-3,3-dimethylbut-1-ene
61382-45-4
SCHEMBL9254590
DTXSID00720655
Database identifiers
CAS
61382-45-4
PubChem CID
57246993
DTXSID
DTXSID00720655
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
66.7
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
937011
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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