LiAlH2(OEt)2

C4H10AlLiO2 — CID 16688255

IUPAC—
SMILESCCO[Al-]OCC.[Li+]
InChIInChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;2*+1
InChIKeyKKFSMMRHOLHJFF-UHFFFAOYSA-N
MW124.05 g/mol
LogP-2.40
Rot. Bonds4

About LiAlH2(OEt)2

LiAlH2(OEt)2 (PubChem CID 16688255) has the molecular formula C4H10AlLiO2 and a molecular weight of 124.05 g/mol.

Molecular Properties

Compound NameLiAlH2(OEt)2
PubChem CID16688255
Molecular FormulaC4H10AlLiO2
Molecular Weight124.05 g/mol
Exact Mass124.07
IUPAC Name—
SMILESCCO[Al-]OCC.[Li+]
InChIInChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;2*+1
InChIKeyKKFSMMRHOLHJFF-UHFFFAOYSA-N
XLogP-2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.05
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of LiAlH2(OEt)2?
The IUPAC name of LiAlH2(OEt)2 (CID 16688255) is not available.
What is the SMILES notation for LiAlH2(OEt)2?
The canonical SMILES for LiAlH2(OEt)2 is CCO[Al-]OCC.[Li+].
What is the InChIKey of LiAlH2(OEt)2?
The InChIKey is KKFSMMRHOLHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;2*+1.
What are the key properties of LiAlH2(OEt)2?
LiAlH2(OEt)2 has a molecular weight of 124.05 g/mol, XLogP of -2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for LiAlH2(OEt)2 is sourced from PubChem (CID 16688255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).