magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)

C22H48Al2MgO10 — CID 75124245

IUPACmagnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)
SMILESCC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Mg+2]
InChIInChI=1S/6C3H7O.2C2H4O2.2Al.Mg/c6*1-3(2)4;2*1-2(3)4;;;/h6*3H,1-2H3;2*1H3,(H,3,4);;;/q6*-1;;;2*+3;+2/p-2
InChIKeyHAVBWSYIHBIIJD-UHFFFAOYSA-L
MW550.89 g/mol
LogP4.14
Rot. Bonds14

About magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)

magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide) (PubChem CID 75124245) has the molecular formula C22H48Al2MgO10 and a molecular weight of 550.89 g/mol. Its IUPAC name is magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide).

Molecular Properties

Compound Namemagnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)
PubChem CID75124245
Molecular FormulaC22H48Al2MgO10
Molecular Weight550.89 g/mol
Exact Mass550.27
IUPAC Namemagnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)
SMILESCC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Mg+2]
InChIInChI=1S/6C3H7O.2C2H4O2.2Al.Mg/c6*1-3(2)4;2*1-2(3)4;;;/h6*3H,1-2H3;2*1H3,(H,3,4);;;/q6*-1;;;2*+3;+2/p-2
InChIKeyHAVBWSYIHBIIJD-UHFFFAOYSA-L
XLogP4.14
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-chloropropane;methyl acetate
CID 157293612
propan-2-yl acetate;hydrochloride
CID 87336432
propane;propan-2-yl acetate
CID 23325886
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
acetyloxyaluminum(2+);bis(propan-2-olate)
CID 18798494
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
2-chloropropyl acetate
CID 527885
CID 174431811
CID 174431811
CID 21266980
CID 21266980
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255

Frequently Asked Questions

What is the IUPAC name of magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)?
The IUPAC name of magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide) (CID 75124245) is magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide).
What is the SMILES notation for magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)?
The canonical SMILES for magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide) is CC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.CC(=O)O[Al-](OC(C)C)(OC(C)C)OC(C)C.[Mg+2].
What is the InChIKey of magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)?
The InChIKey is HAVBWSYIHBIIJD-UHFFFAOYSA-L. The full InChI is InChI=1S/6C3H7O.2C2H4O2.2Al.Mg/c6*1-3(2)4;2*1-2(3)4;;;/h6*3H,1-2H3;2*1H3,(H,3,4);;;/q6*-1;;;2*+3;+2/p-2.
What are the key properties of magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide)?
magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide) has a molecular weight of 550.89 g/mol, XLogP of 4.14, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(acetyloxy-tri(propan-2-yloxy)alumanuide) is sourced from PubChem (CID 75124245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).