lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane

C42H86AlLiN2O4 — CID 134998661

IUPAClithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)C[Al-](CC(C)C)(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C.[Li+]
InChIInChI=1S/2C9H18N.4C4H8O.2C4H9.Al.Li/c2*1-8(2)6-5-7-9(3,4)10-8;4*1-2-4-5-3-1;2*1-4(2)3;;/h2*5-7H2,1-4H3;4*1-4H2;2*4H,1H2,2-3H3;;/q2*-1;;;;;;;2*+1
InChIKeyLQYWDZSEFZVZFQ-UHFFFAOYSA-N
MW717.08 g/mol
LogP8.02
Rot. Bonds6

About lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane

lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane (PubChem CID 134998661) has the molecular formula C42H86AlLiN2O4 and a molecular weight of 717.08 g/mol. Its IUPAC name is lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane.

Molecular Properties

Compound Namelithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane
PubChem CID134998661
Molecular FormulaC42H86AlLiN2O4
Molecular Weight717.08 g/mol
Exact Mass716.66
IUPAC Namelithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)C[Al-](CC(C)C)(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C.[Li+]
InChIInChI=1S/2C9H18N.4C4H8O.2C4H9.Al.Li/c2*1-8(2)6-5-7-9(3,4)10-8;4*1-2-4-5-3-1;2*1-4(2)3;;/h2*5-7H2,1-4H3;4*1-4H2;2*4H,1H2,2-3H3;;/q2*-1;;;;;;;2*+1
InChIKeyLQYWDZSEFZVZFQ-UHFFFAOYSA-N
XLogP8.02
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.08
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane?
The IUPAC name of lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane (CID 134998661) is lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane.
What is the SMILES notation for lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane?
The canonical SMILES for lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CC(C)C[Al-](CC(C)C)(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C.[Li+].
What is the InChIKey of lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane?
The InChIKey is LQYWDZSEFZVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N.4C4H8O.2C4H9.Al.Li/c2*1-8(2)6-5-7-9(3,4)10-8;4*1-2-4-5-3-1;2*1-4(2)3;;/h2*5-7H2,1-4H3;4*1-4H2;2*4H,1H2,2-3H3;;/q2*-1;;;;;;;2*+1.
What are the key properties of lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane?
lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane has a molecular weight of 717.08 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(2-methylpropyl)-bis(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide;oxolane is sourced from PubChem (CID 134998661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).