Aluminium lithium tri-tert-butoxide hydride

C12H27AlLiO3 — CID 6328594

IUPAC—
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].[Li]
InChIInChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;
InChIKeyHTBVGZAVHBZXMS-UHFFFAOYSA-N
MW253.27 g/mol
LogP-0.33
Rot. Bonds

About Aluminium lithium tri-tert-butoxide hydride

Aluminium lithium tri-tert-butoxide hydride (PubChem CID 6328594) has the molecular formula C12H27AlLiO3 and a molecular weight of 253.27 g/mol.

Molecular Properties

Compound NameAluminium lithium tri-tert-butoxide hydride
PubChem CID6328594
Molecular FormulaC12H27AlLiO3
Molecular Weight253.27 g/mol
Exact Mass253.19
IUPAC Name—
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].[Li]
InChIInChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;
InChIKeyHTBVGZAVHBZXMS-UHFFFAOYSA-N
XLogP-0.33
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Aluminium lithium tri-tert-butoxide hydride?
The IUPAC name of Aluminium lithium tri-tert-butoxide hydride (CID 6328594) is not available.
What is the SMILES notation for Aluminium lithium tri-tert-butoxide hydride?
The canonical SMILES for Aluminium lithium tri-tert-butoxide hydride is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].[Li].
What is the InChIKey of Aluminium lithium tri-tert-butoxide hydride?
The InChIKey is HTBVGZAVHBZXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;.
What are the key properties of Aluminium lithium tri-tert-butoxide hydride?
Aluminium lithium tri-tert-butoxide hydride has a molecular weight of 253.27 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Aluminium lithium tri-tert-butoxide hydride is sourced from PubChem (CID 6328594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).