magnesium;2-methylpropan-1-olate;propane

C7H16MgO — CID 154075044

IUPACmagnesium;2-methylpropan-1-olate;propane
SMILESCC(C)C[O-].[CH2-]CC.[Mg+2]
InChIInChI=1S/C4H9O.C3H7.Mg/c1-4(2)3-5;1-3-2;/h4H,3H2,1-2H3;1,3H2,2H3;/q2*-1;+2
InChIKeyRNYSJTCMZZCCHZ-UHFFFAOYSA-N
MW140.51 g/mol
LogP0.85
Rot. Bonds1

About magnesium;2-methylpropan-1-olate;propane

magnesium;2-methylpropan-1-olate;propane (PubChem CID 154075044) has the molecular formula C7H16MgO and a molecular weight of 140.51 g/mol. Its IUPAC name is magnesium;2-methylpropan-1-olate;propane.

Molecular Properties

Compound Namemagnesium;2-methylpropan-1-olate;propane
PubChem CID154075044
Molecular FormulaC7H16MgO
Molecular Weight140.51 g/mol
Exact Mass140.11
IUPAC Namemagnesium;2-methylpropan-1-olate;propane
SMILESCC(C)C[O-].[CH2-]CC.[Mg+2]
InChIInChI=1S/C4H9O.C3H7.Mg/c1-4(2)3-5;1-3-2;/h4H,3H2,1-2H3;1,3H2,2H3;/q2*-1;+2
InChIKeyRNYSJTCMZZCCHZ-UHFFFAOYSA-N
XLogP0.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.51
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpropan-1-olate;propane?
The IUPAC name of magnesium;2-methylpropan-1-olate;propane (CID 154075044) is magnesium;2-methylpropan-1-olate;propane.
What is the SMILES notation for magnesium;2-methylpropan-1-olate;propane?
The canonical SMILES for magnesium;2-methylpropan-1-olate;propane is CC(C)C[O-].[CH2-]CC.[Mg+2].
What is the InChIKey of magnesium;2-methylpropan-1-olate;propane?
The InChIKey is RNYSJTCMZZCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C3H7.Mg/c1-4(2)3-5;1-3-2;/h4H,3H2,1-2H3;1,3H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;2-methylpropan-1-olate;propane?
magnesium;2-methylpropan-1-olate;propane has a molecular weight of 140.51 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropan-1-olate;propane is sourced from PubChem (CID 154075044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).