2,2-diiodo-3,3-dimethylbutane

C6H12I2 — CID 119097693

IUPAC2,2-diiodo-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(I)I
InChIInChI=1S/C6H12I2/c1-5(2,3)6(4,7)8/h1-4H3
InChIKeyUTITZTQBALOPGH-UHFFFAOYSA-N
MW337.97 g/mol
LogP3.62
Rot. Bonds

About 2,2-diiodo-3,3-dimethylbutane

2,2-diiodo-3,3-dimethylbutane (PubChem CID 119097693) has the molecular formula C6H12I2 and a molecular weight of 337.97 g/mol. Its IUPAC name is 2,2-diiodo-3,3-dimethylbutane.

Molecular Properties

Compound Name2,2-diiodo-3,3-dimethylbutane
PubChem CID119097693
Molecular FormulaC6H12I2
Molecular Weight337.97 g/mol
Exact Mass337.90
IUPAC Name2,2-diiodo-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(I)I
InChIInChI=1S/C6H12I2/c1-5(2,3)6(4,7)8/h1-4H3
InChIKeyUTITZTQBALOPGH-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.97
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diiodo-3,3-dimethylbutane?
The IUPAC name of 2,2-diiodo-3,3-dimethylbutane (CID 119097693) is 2,2-diiodo-3,3-dimethylbutane.
What is the SMILES notation for 2,2-diiodo-3,3-dimethylbutane?
The canonical SMILES for 2,2-diiodo-3,3-dimethylbutane is CC(C)(C)C(C)(I)I.
What is the InChIKey of 2,2-diiodo-3,3-dimethylbutane?
The InChIKey is UTITZTQBALOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2/c1-5(2,3)6(4,7)8/h1-4H3.
What are the key properties of 2,2-diiodo-3,3-dimethylbutane?
2,2-diiodo-3,3-dimethylbutane has a molecular weight of 337.97 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diiodo-3,3-dimethylbutane is sourced from PubChem (CID 119097693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).