lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane

C6H16AlLiO2 — CID 175098848

IUPAClithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
SMILESCC(O[AlH2])OC(C)(C)C.[H-].[Li+]
InChIInChI=1S/C6H13O2.Al.Li.3H/c1-5(7)8-6(2,3)4;;;;;/h5H,1-4H3;;;;;/q-1;2*+1;;;-1
InChIKeyJBULIVULEMDQTQ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-2.17
Rot. Bonds2

About lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane

lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane (PubChem CID 175098848) has the molecular formula C6H16AlLiO2 and a molecular weight of 154.12 g/mol. Its IUPAC name is lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane.

Molecular Properties

Compound Namelithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
PubChem CID175098848
Molecular FormulaC6H16AlLiO2
Molecular Weight154.12 g/mol
Exact Mass154.11
IUPAC Namelithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
SMILESCC(O[AlH2])OC(C)(C)C.[H-].[Li+]
InChIInChI=1S/C6H13O2.Al.Li.3H/c1-5(7)8-6(2,3)4;;;;;/h5H,1-4H3;;;;;/q-1;2*+1;;;-1
InChIKeyJBULIVULEMDQTQ-UHFFFAOYSA-N
XLogP-2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;1-methoxyethoxyalumane;molecular hydrogen
CID 174702312
1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 87508995
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
CID 134572813
1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
CID 173066924
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283342
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane?
The IUPAC name of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane (CID 175098848) is lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane.
What is the SMILES notation for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane?
The canonical SMILES for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane is CC(O[AlH2])OC(C)(C)C.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane?
The InChIKey is JBULIVULEMDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.Al.Li.3H/c1-5(7)8-6(2,3)4;;;;;/h5H,1-4H3;;;;;/q-1;2*+1;;;-1.
What are the key properties of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane?
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane has a molecular weight of 154.12 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane is sourced from PubChem (CID 175098848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).