magnesium;2-methylpropan-2-olate;prop-1-ene

C7H14MgO — CID 11400811

IUPACmagnesium;2-methylpropan-2-olate;prop-1-ene
SMILESC=[C-]C.CC(C)(C)[O-].[Mg+2]
InChIInChI=1S/C4H9O.C3H5.Mg/c1-4(2,3)5;1-3-2;/h1-3H3;1H2,2H3;/q2*-1;+2
InChIKeyUENQAISFXTWROK-UHFFFAOYSA-N
MW138.49 g/mol
LogP0.76
Rot. Bonds

About magnesium;2-methylpropan-2-olate;prop-1-ene

magnesium;2-methylpropan-2-olate;prop-1-ene (PubChem CID 11400811) has the molecular formula C7H14MgO and a molecular weight of 138.49 g/mol. Its IUPAC name is magnesium;2-methylpropan-2-olate;prop-1-ene.

Molecular Properties

Compound Namemagnesium;2-methylpropan-2-olate;prop-1-ene
PubChem CID11400811
Molecular FormulaC7H14MgO
Molecular Weight138.49 g/mol
Exact Mass138.09
IUPAC Namemagnesium;2-methylpropan-2-olate;prop-1-ene
SMILESC=[C-]C.CC(C)(C)[O-].[Mg+2]
InChIInChI=1S/C4H9O.C3H5.Mg/c1-4(2,3)5;1-3-2;/h1-3H3;1H2,2H3;/q2*-1;+2
InChIKeyUENQAISFXTWROK-UHFFFAOYSA-N
XLogP0.76
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.49
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;2-methylpropan-2-olate;prop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

triazanium;tris(2-methylpropan-2-olate)
CID 139799993
sodium tert-butanolate
CID 131726539
prop-1-ene;rhenium
CID 59047479
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
tris(2-methylpropan-2-olate);titanium(4+);hydroxide
CID 101188684
potassium;gold;2-methylpropan-2-olate
CID 174888257
carbanide;prop-1-ene;tungsten(2+)
CID 59748677
sodium;benzene;2-methylpropan-2-olate
CID 174911995
ditert-butylalumanylium;2-methylpropan-2-olate
CID 18400427
CID 136915932
CID 136915932
but-3-en-2-yltin(3+);tris(2-methylpropan-2-olate)
CID 174192051

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpropan-2-olate;prop-1-ene?
The IUPAC name of magnesium;2-methylpropan-2-olate;prop-1-ene (CID 11400811) is magnesium;2-methylpropan-2-olate;prop-1-ene.
What is the SMILES notation for magnesium;2-methylpropan-2-olate;prop-1-ene?
The canonical SMILES for magnesium;2-methylpropan-2-olate;prop-1-ene is C=[C-]C.CC(C)(C)[O-].[Mg+2].
What is the InChIKey of magnesium;2-methylpropan-2-olate;prop-1-ene?
The InChIKey is UENQAISFXTWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C3H5.Mg/c1-4(2,3)5;1-3-2;/h1-3H3;1H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;2-methylpropan-2-olate;prop-1-ene?
magnesium;2-methylpropan-2-olate;prop-1-ene has a molecular weight of 138.49 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropan-2-olate;prop-1-ene is sourced from PubChem (CID 11400811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).