ethoxyethane;triiodoalumane

C4H10AlI3O — CID 139244105

IUPACethoxyethane;triiodoalumane
SMILESCCOCC.I[Al](I)I
InChIInChI=1S/C4H10O.Al.3HI/c1-3-5-4-2;;;;/h3-4H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyPMWGGJKLMFLAJE-UHFFFAOYSA-K
MW481.82 g/mol
LogP3.32
Rot. Bonds2

About ethoxyethane;triiodoalumane

ethoxyethane;triiodoalumane (PubChem CID 139244105) has the molecular formula C4H10AlI3O and a molecular weight of 481.82 g/mol. Its IUPAC name is ethoxyethane;triiodoalumane.

Molecular Properties

Compound Nameethoxyethane;triiodoalumane
PubChem CID139244105
Molecular FormulaC4H10AlI3O
Molecular Weight481.82 g/mol
Exact Mass481.77
IUPAC Nameethoxyethane;triiodoalumane
SMILESCCOCC.I[Al](I)I
InChIInChI=1S/C4H10O.Al.3HI/c1-3-5-4-2;;;;/h3-4H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyPMWGGJKLMFLAJE-UHFFFAOYSA-K
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
CID 135083812
CID 135083812
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
strontium;ethoxyethane;hydride
CID 174808757
lithium;ethoxyethane;chloride
CID 175344978

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;triiodoalumane?
The IUPAC name of ethoxyethane;triiodoalumane (CID 139244105) is ethoxyethane;triiodoalumane.
What is the SMILES notation for ethoxyethane;triiodoalumane?
The canonical SMILES for ethoxyethane;triiodoalumane is CCOCC.I[Al](I)I.
What is the InChIKey of ethoxyethane;triiodoalumane?
The InChIKey is PMWGGJKLMFLAJE-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H10O.Al.3HI/c1-3-5-4-2;;;;/h3-4H2,1-2H3;;3*1H/q;+3;;;/p-3.
What are the key properties of ethoxyethane;triiodoalumane?
ethoxyethane;triiodoalumane has a molecular weight of 481.82 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;triiodoalumane is sourced from PubChem (CID 139244105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).