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Molecule
ID:65390
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₀I₂
Molecular Mass
335.95254
Exact Mass
335.88719632
Charge
0
InChI
InChI=1S/C6H10I2/c7-4-6(5-8)2-1-3-6/h1-5H2
InChIKey
LDIPTYNQUAFCAP-UHFFFAOYSA-N
Canonic Smiles
ICC1(CI)CCC1
Isomeric Smiles
C1C(CC1)(CI)CI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7445283
LogD (pH = 7.4)
3.7445283
Log P
3.7445283
Molar Refractivity
53.5435
Polarizability
21.446835
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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Synonyms
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IUPAC name
Registration numbers
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PubChem CID
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PubChem SID
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CAS Number
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MDL Number
Properties
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Product Information
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
070729
Academic Data
PubChem
12458131
Names and Identifiers
IUPAC Traditional name
1,1-bis(iodomethyl)cyclobutane
Synonyms
1,1-Bis(iodomethyl)cyclobutane
IUPAC name
1,1-bis(iodomethyl)cyclobutane
Registration numbers
PubChem CID
12458131
PubChem SID
162031129
CAS Number
65478-57-1
MDL Number
MFCD18839256
Properties
Product Information
Purity
95%
Source
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
Storage Warning
IRRITANT
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay