lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide

C12H28AlLiO3 — CID 16717639

IUPAClithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide
SMILES[2H][Al-](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[Li+]
InChIInChI=1S/3C4H9O.Al.Li.H/c3*1-4(2,3)5;;;/h3*1-3H3;;;/q3*-1;+2;+1;/i;;;;;1+1
InChIKeyBYBIDFZFKATBFH-PUQAOBSFSA-N
MW255.28 g/mol
LogP0.15
Rot. Bonds3

About lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide

lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide (PubChem CID 16717639) has the molecular formula C12H28AlLiO3 and a molecular weight of 255.28 g/mol. Its IUPAC name is lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide.

Molecular Properties

Compound Namelithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide
PubChem CID16717639
Molecular FormulaC12H28AlLiO3
Molecular Weight255.28 g/mol
Exact Mass255.21
IUPAC Namelithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide
SMILES[2H][Al-](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[Li+]
InChIInChI=1S/3C4H9O.Al.Li.H/c3*1-4(2,3)5;;;/h3*1-3H3;;;/q3*-1;+2;+1;/i;;;;;1+1
InChIKeyBYBIDFZFKATBFH-PUQAOBSFSA-N
XLogP0.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide?
The IUPAC name of lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide (CID 16717639) is lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide.
What is the SMILES notation for lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide?
The canonical SMILES for lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide is [2H][Al-](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[Li+].
What is the InChIKey of lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide?
The InChIKey is BYBIDFZFKATBFH-PUQAOBSFSA-N. The full InChI is InChI=1S/3C4H9O.Al.Li.H/c3*1-4(2,3)5;;;/h3*1-3H3;;;/q3*-1;+2;+1;/i;;;;;1+1.
What are the key properties of lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide?
lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide has a molecular weight of 255.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium deuterio-tris[(2-methylpropan-2-yl)oxy]alumanuide is sourced from PubChem (CID 16717639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).