butane;dihydroiodide

C8H22I2 — CID 173299742

IUPACbutane;dihydroiodide
SMILESCCCC.CCCC.I.I
InChIInChI=1S/2C4H10.2HI/c2*1-3-4-2;;/h2*3-4H2,1-2H3;2*1H
InChIKeySBBVKEBHDUBBOQ-UHFFFAOYSA-N
MW372.07 g/mol
LogP4.85
Rot. Bonds2

About butane;dihydroiodide

butane;dihydroiodide (PubChem CID 173299742) has the molecular formula C8H22I2 and a molecular weight of 372.07 g/mol. Its IUPAC name is butane;dihydroiodide.

Molecular Properties

Compound Namebutane;dihydroiodide
PubChem CID173299742
Molecular FormulaC8H22I2
Molecular Weight372.07 g/mol
Exact Mass371.98
IUPAC Namebutane;dihydroiodide
SMILESCCCC.CCCC.I.I
InChIInChI=1S/2C4H10.2HI/c2*1-3-4-2;;/h2*3-4H2,1-2H3;2*1H
InChIKeySBBVKEBHDUBBOQ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.07
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;dihydroiodide 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

butane;methane
CID 161323740
butane;hydrazine
CID 161056989
azane;butane
CID 18518846
butane;octahydrofluoride
CID 173254735
butane;methane
CID 169432073
butane;dihydrochloride
CID 175321374
butane;neodymium
CID 173047512
butane;manganese
CID 173124338
butane;lanthanum
CID 174455562
butane;sulfane
CID 162203569
butane;methane
CID 158764755
argon;butane
CID 157343960

Frequently Asked Questions

What is the IUPAC name of butane;dihydroiodide?
The IUPAC name of butane;dihydroiodide (CID 173299742) is butane;dihydroiodide.
What is the SMILES notation for butane;dihydroiodide?
The canonical SMILES for butane;dihydroiodide is CCCC.CCCC.I.I.
What is the InChIKey of butane;dihydroiodide?
The InChIKey is SBBVKEBHDUBBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2HI/c2*1-3-4-2;;/h2*3-4H2,1-2H3;2*1H.
What are the key properties of butane;dihydroiodide?
butane;dihydroiodide has a molecular weight of 372.07 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dihydroiodide is sourced from PubChem (CID 173299742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).