dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane

C25H64Al2Li2N2O6Si2 — CID 158760534

IUPACdilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane
SMILESCC1CCCO1.CCCCN1CCC[SiH2]1.CCCCN1CCC[Si]1(C)OC.CO[Al](OC)OC.C[O-].[AlH3].[H-].[Li+].[Li+]
InChIInChI=1S/C9H21NOSi.C7H17NSi.C5H10O.4CH3O.2Al.2Li.4H/c1-4-5-7-10-8-6-9-12(10,3)11-2;1-2-3-5-8-6-4-7-9-8;1-5-3-2-4-6-5;4*1-2;;;;;;;;/h4-9H2,1-3H3;2-7,9H2,1H3;5H,2-4H2,1H3;4*1H3;;;;;;;;/q;;;4*-1;;+3;2*+1;;;;-1
InChIKeyVSFUNQXJKLJRPI-UHFFFAOYSA-N
MW612.81 g/mol
LogP-3.79
Rot. Bonds10

About dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane

dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane (PubChem CID 158760534) has the molecular formula C25H64Al2Li2N2O6Si2 and a molecular weight of 612.81 g/mol. Its IUPAC name is dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane.

Molecular Properties

Compound Namedilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane
PubChem CID158760534
Molecular FormulaC25H64Al2Li2N2O6Si2
Molecular Weight612.81 g/mol
Exact Mass612.43
IUPAC Namedilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane
SMILESCC1CCCO1.CCCCN1CCC[SiH2]1.CCCCN1CCC[Si]1(C)OC.CO[Al](OC)OC.C[O-].[AlH3].[H-].[Li+].[Li+]
InChIInChI=1S/C9H21NOSi.C7H17NSi.C5H10O.4CH3O.2Al.2Li.4H/c1-4-5-7-10-8-6-9-12(10,3)11-2;1-2-3-5-8-6-4-7-9-8;1-5-3-2-4-6-5;4*1-2;;;;;;;;/h4-9H2,1-3H3;2-7,9H2,1H3;5H,2-4H2,1H3;4*1H3;;;;;;;;/q;;;4*-1;;+3;2*+1;;;;-1
InChIKeyVSFUNQXJKLJRPI-UHFFFAOYSA-N
XLogP-3.79
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.81
LogP ≤ 5-3.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane with MolForge

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Launch Full Analysis

Related Compounds

2-methyloxolane;1-methylpiperidine
CID 164525198
2-methoxyethanol;2-methyloxolane
CID 90184729
2-methyloxolane;trimethyl borate
CID 174059312
2-methyloxane;propane
CID 171074580
diethyl carbonate;2-methyloxolane
CID 174662331
2-methoxy-2-methylpropane;2-methyloxolane
CID 67153137
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
2-methyloxolane;oxolane
CID 69253648
1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
CID 64865569
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
1-butylpyrrolidine;1,4-dioxane
CID 159502773
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904

Frequently Asked Questions

What is the IUPAC name of dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane?
The IUPAC name of dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane (CID 158760534) is dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane.
What is the SMILES notation for dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane?
The canonical SMILES for dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane is CC1CCCO1.CCCCN1CCC[SiH2]1.CCCCN1CCC[Si]1(C)OC.CO[Al](OC)OC.C[O-].[AlH3].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane?
The InChIKey is VSFUNQXJKLJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOSi.C7H17NSi.C5H10O.4CH3O.2Al.2Li.4H/c1-4-5-7-10-8-6-9-12(10,3)11-2;1-2-3-5-8-6-4-7-9-8;1-5-3-2-4-6-5;4*1-2;;;;;;;;/h4-9H2,1-3H3;2-7,9H2,1H3;5H,2-4H2,1H3;4*1H3;;;;;;;;/q;;;4*-1;;+3;2*+1;;;;-1.
What are the key properties of dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane?
dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane has a molecular weight of 612.81 g/mol, XLogP of -3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;alumane;1-butylazasilolidine;1-butyl-2-methoxy-2-methylazasilolidine;hydride;methanolate;2-methyloxolane;trimethoxyalumane is sourced from PubChem (CID 158760534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).