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

C12H32Al2CaO4 — CID 91666546

IUPACcalcium bis(di(propan-2-yloxy)alumanuide)
SMILESCC(C)O[AlH2-]OC(C)C.CC(C)O[AlH2-]OC(C)C.[Ca+2]
InChIInChI=1S/4C3H7O.2Al.Ca.4H/c4*1-3(2)4;;;;;;;/h4*3H,1-2H3;;;;;;;/q4*-1;2*+1;+2;;;;
InChIKeyAHWNHCULKQTSCM-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.29
Rot. Bonds8

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

calcium bis(di(propan-2-yloxy)alumanuide) (PubChem CID 91666546) has the molecular formula C12H32Al2CaO4 and a molecular weight of 334.43 g/mol. Its IUPAC name is calcium bis(di(propan-2-yloxy)alumanuide).

Molecular Properties

Compound Namecalcium bis(di(propan-2-yloxy)alumanuide)
PubChem CID91666546
Molecular FormulaC12H32Al2CaO4
Molecular Weight334.43 g/mol
Exact Mass334.16
IUPAC Namecalcium bis(di(propan-2-yloxy)alumanuide)
SMILESCC(C)O[AlH2-]OC(C)C.CC(C)O[AlH2-]OC(C)C.[Ca+2]
InChIInChI=1S/4C3H7O.2Al.Ca.4H/c4*1-3(2)4;;;;;;;/h4*3H,1-2H3;;;;;;;/q4*-1;2*+1;+2;;;;
InChIKeyAHWNHCULKQTSCM-UHFFFAOYSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze calcium bis(di(propan-2-yloxy)alumanuide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium bis(di(propan-2-yloxy)alumanuide)?
The IUPAC name of calcium bis(di(propan-2-yloxy)alumanuide) (CID 91666546) is calcium bis(di(propan-2-yloxy)alumanuide).
What is the SMILES notation for calcium bis(di(propan-2-yloxy)alumanuide)?
The canonical SMILES for calcium bis(di(propan-2-yloxy)alumanuide) is CC(C)O[AlH2-]OC(C)C.CC(C)O[AlH2-]OC(C)C.[Ca+2].
What is the InChIKey of calcium bis(di(propan-2-yloxy)alumanuide)?
The InChIKey is AHWNHCULKQTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7O.2Al.Ca.4H/c4*1-3(2)4;;;;;;;/h4*3H,1-2H3;;;;;;;/q4*-1;2*+1;+2;;;;.
What are the key properties of calcium bis(di(propan-2-yloxy)alumanuide)?
calcium bis(di(propan-2-yloxy)alumanuide) has a molecular weight of 334.43 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(di(propan-2-yloxy)alumanuide) is sourced from PubChem (CID 91666546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).