2,2,3,3-tetraiodopentane

C5H8I4 — CID 89112681

IUPAC2,2,3,3-tetraiodopentane
SMILESCCC(I)(I)C(C)(I)I
InChIInChI=1S/C5H8I4/c1-3-5(8,9)4(2,6)7/h3H2,1-2H3
InChIKeyNMXIEZAITKTTNQ-UHFFFAOYSA-N
MW575.73 g/mol
LogP4.55
Rot. Bonds2

About 2,2,3,3-tetraiodopentane

2,2,3,3-tetraiodopentane (PubChem CID 89112681) has the molecular formula C5H8I4 and a molecular weight of 575.73 g/mol. Its IUPAC name is 2,2,3,3-tetraiodopentane.

Molecular Properties

Compound Name2,2,3,3-tetraiodopentane
PubChem CID89112681
Molecular FormulaC5H8I4
Molecular Weight575.73 g/mol
Exact Mass575.68
IUPAC Name2,2,3,3-tetraiodopentane
SMILESCCC(I)(I)C(C)(I)I
InChIInChI=1S/C5H8I4/c1-3-5(8,9)4(2,6)7/h3H2,1-2H3
InChIKeyNMXIEZAITKTTNQ-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.73
LogP ≤ 54.55
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'}

Analyze 2,2,3,3-tetraiodopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-iodobutan-2-ol
CID 126611697
2,2-diiodo-3,3-dimethylbutane
CID 119097693
1,1-diiodopropan-1-ol
CID 54306694
2-iodo-2-methylbutane-1-thiol
CID 130456979
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
1-chloro-1-iodopropan-1-ol
CID 23322646
3-deuterio-2,2-dimethylbutane
CID 164727472
CID 145068992
CID 145068992
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraiodopentane?
The IUPAC name of 2,2,3,3-tetraiodopentane (CID 89112681) is 2,2,3,3-tetraiodopentane.
What is the SMILES notation for 2,2,3,3-tetraiodopentane?
The canonical SMILES for 2,2,3,3-tetraiodopentane is CCC(I)(I)C(C)(I)I.
What is the InChIKey of 2,2,3,3-tetraiodopentane?
The InChIKey is NMXIEZAITKTTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8I4/c1-3-5(8,9)4(2,6)7/h3H2,1-2H3.
What are the key properties of 2,2,3,3-tetraiodopentane?
2,2,3,3-tetraiodopentane has a molecular weight of 575.73 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraiodopentane is sourced from PubChem (CID 89112681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).