magnesium;2,2-dimethylpropan-1-olate;propan-1-olate

C8H18MgO2 — CID 139939049

IUPACmagnesium;2,2-dimethylpropan-1-olate;propan-1-olate
SMILESCC(C)(C)C[O-].CCC[O-].[Mg+2]
InChIInChI=1S/C5H11O.C3H7O.Mg/c1-5(2,3)4-6;1-2-3-4;/h4H2,1-3H3;2-3H2,1H3;/q2*-1;+2
InChIKeyPGPOEKLEHJFASV-UHFFFAOYSA-N
MW170.53 g/mol
LogP-0.23
Rot. Bonds1

About magnesium;2,2-dimethylpropan-1-olate;propan-1-olate

magnesium;2,2-dimethylpropan-1-olate;propan-1-olate (PubChem CID 139939049) has the molecular formula C8H18MgO2 and a molecular weight of 170.53 g/mol. Its IUPAC name is magnesium;2,2-dimethylpropan-1-olate;propan-1-olate.

Molecular Properties

Compound Namemagnesium;2,2-dimethylpropan-1-olate;propan-1-olate
PubChem CID139939049
Molecular FormulaC8H18MgO2
Molecular Weight170.53 g/mol
Exact Mass170.12
IUPAC Namemagnesium;2,2-dimethylpropan-1-olate;propan-1-olate
SMILESCC(C)(C)C[O-].CCC[O-].[Mg+2]
InChIInChI=1S/C5H11O.C3H7O.Mg/c1-5(2,3)4-6;1-2-3-4;/h4H2,1-3H3;2-3H2,1H3;/q2*-1;+2
InChIKeyPGPOEKLEHJFASV-UHFFFAOYSA-N
XLogP-0.23
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-dimethylpropan-1-olate;propan-1-olate?
The IUPAC name of magnesium;2,2-dimethylpropan-1-olate;propan-1-olate (CID 139939049) is magnesium;2,2-dimethylpropan-1-olate;propan-1-olate.
What is the SMILES notation for magnesium;2,2-dimethylpropan-1-olate;propan-1-olate?
The canonical SMILES for magnesium;2,2-dimethylpropan-1-olate;propan-1-olate is CC(C)(C)C[O-].CCC[O-].[Mg+2].
What is the InChIKey of magnesium;2,2-dimethylpropan-1-olate;propan-1-olate?
The InChIKey is PGPOEKLEHJFASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.C3H7O.Mg/c1-5(2,3)4-6;1-2-3-4;/h4H2,1-3H3;2-3H2,1H3;/q2*-1;+2.
What are the key properties of magnesium;2,2-dimethylpropan-1-olate;propan-1-olate?
magnesium;2,2-dimethylpropan-1-olate;propan-1-olate has a molecular weight of 170.53 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-dimethylpropan-1-olate;propan-1-olate is sourced from PubChem (CID 139939049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).