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1-Iodo-3,3-dimethylbut-1-ene

HCID 57246993
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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-ene61382-45-4SCHEMBL9254590DTXSID00720655

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

Related reactions

1 records
New reaction record
HRID 937011 reaction equation
HRID 937011As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes