ethanol iodide

C2H6IO- — CID 22987629

IUPACethanol iodide
SMILESCCO.[I-]
InChIInChI=1S/C2H6O.HI/c1-2-3;/h3H,2H2,1H3;1H/p-1
InChIKeySLFLFNSLWZNOOG-UHFFFAOYSA-M
MW172.97 g/mol
LogP-3.00
Rot. Bonds

About ethanol iodide

ethanol iodide (PubChem CID 22987629) has the molecular formula C2H6IO- and a molecular weight of 172.97 g/mol. Its IUPAC name is ethanol iodide.

Molecular Properties

Compound Nameethanol iodide
PubChem CID22987629
Molecular FormulaC2H6IO-
Molecular Weight172.97 g/mol
Exact Mass172.95
IUPAC Nameethanol iodide
SMILESCCO.[I-]
InChIInChI=1S/C2H6O.HI/c1-2-3;/h3H,2H2,1H3;1H/p-1
InChIKeySLFLFNSLWZNOOG-UHFFFAOYSA-M
XLogP-3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.97
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol iodide?
The IUPAC name of ethanol iodide (CID 22987629) is ethanol iodide.
What is the SMILES notation for ethanol iodide?
The canonical SMILES for ethanol iodide is CCO.[I-].
What is the InChIKey of ethanol iodide?
The InChIKey is SLFLFNSLWZNOOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O.HI/c1-2-3;/h3H,2H2,1H3;1H/p-1.
What are the key properties of ethanol iodide?
ethanol iodide has a molecular weight of 172.97 g/mol, XLogP of -3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol iodide is sourced from PubChem (CID 22987629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).