calcium bis(tetra(propan-2-yloxy)alumanuide)

C24H56Al2CaO8 — CID 16715765

IUPACcalcium bis(tetra(propan-2-yloxy)alumanuide)
SMILESCC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Ca+2]
InChIInChI=1S/8C3H7O.2Al.Ca/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2
InChIKeyUUJQYNSOHZQRLI-UHFFFAOYSA-N
MW566.75 g/mol
LogP5.86
Rot. Bonds16

About calcium bis(tetra(propan-2-yloxy)alumanuide)

calcium bis(tetra(propan-2-yloxy)alumanuide) (PubChem CID 16715765) has the molecular formula C24H56Al2CaO8 and a molecular weight of 566.75 g/mol. Its IUPAC name is calcium bis(tetra(propan-2-yloxy)alumanuide).

Molecular Properties

Compound Namecalcium bis(tetra(propan-2-yloxy)alumanuide)
PubChem CID16715765
Molecular FormulaC24H56Al2CaO8
Molecular Weight566.75 g/mol
Exact Mass566.32
IUPAC Namecalcium bis(tetra(propan-2-yloxy)alumanuide)
SMILESCC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Ca+2]
InChIInChI=1S/8C3H7O.2Al.Ca/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2
InChIKeyUUJQYNSOHZQRLI-UHFFFAOYSA-N
XLogP5.86
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of calcium bis(tetra(propan-2-yloxy)alumanuide)?
The IUPAC name of calcium bis(tetra(propan-2-yloxy)alumanuide) (CID 16715765) is calcium bis(tetra(propan-2-yloxy)alumanuide).
What is the SMILES notation for calcium bis(tetra(propan-2-yloxy)alumanuide)?
The canonical SMILES for calcium bis(tetra(propan-2-yloxy)alumanuide) is CC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(C)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Ca+2].
What is the InChIKey of calcium bis(tetra(propan-2-yloxy)alumanuide)?
The InChIKey is UUJQYNSOHZQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H7O.2Al.Ca/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2.
What are the key properties of calcium bis(tetra(propan-2-yloxy)alumanuide)?
calcium bis(tetra(propan-2-yloxy)alumanuide) has a molecular weight of 566.75 g/mol, XLogP of 5.86, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(tetra(propan-2-yloxy)alumanuide) is sourced from PubChem (CID 16715765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).