ethoxyethane;dihydroiodide

C4H12I2O — CID 88815378

IUPACethoxyethane;dihydroiodide
SMILESCCOCC.I.I
InChIInChI=1S/C4H10O.2HI/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyJTTQRLCDPROLCM-UHFFFAOYSA-N
MW329.95 g/mol
LogP2.28
Rot. Bonds2

About ethoxyethane;dihydroiodide

ethoxyethane;dihydroiodide (PubChem CID 88815378) has the molecular formula C4H12I2O and a molecular weight of 329.95 g/mol. Its IUPAC name is ethoxyethane;dihydroiodide.

Molecular Properties

Compound Nameethoxyethane;dihydroiodide
PubChem CID88815378
Molecular FormulaC4H12I2O
Molecular Weight329.95 g/mol
Exact Mass329.90
IUPAC Nameethoxyethane;dihydroiodide
SMILESCCOCC.I.I
InChIInChI=1S/C4H10O.2HI/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyJTTQRLCDPROLCM-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.95
LogP ≤ 52.28
H-Bond Donors ≤ 50
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 ethoxyethane;dihydroiodide?
The IUPAC name of ethoxyethane;dihydroiodide (CID 88815378) is ethoxyethane;dihydroiodide.
What is the SMILES notation for ethoxyethane;dihydroiodide?
The canonical SMILES for ethoxyethane;dihydroiodide is CCOCC.I.I.
What is the InChIKey of ethoxyethane;dihydroiodide?
The InChIKey is JTTQRLCDPROLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2HI/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H.
What are the key properties of ethoxyethane;dihydroiodide?
ethoxyethane;dihydroiodide has a molecular weight of 329.95 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;dihydroiodide is sourced from PubChem (CID 88815378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).