magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride

C11H20MgO4 — CID 174968712

IUPACmagnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
SMILESCCC(C(=O)O)(C(=O)O)C1CCCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H18O4.Mg.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;/h8H,2-7H2,1H3,(H,12,13)(H,14,15);;;/q;+2;2*-1
InChIKeyZMPZMNKEZYXEEF-UHFFFAOYSA-N
MW240.58 g/mol
LogP1.98
Rot. Bonds4

About magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride

magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride (PubChem CID 174968712) has the molecular formula C11H20MgO4 and a molecular weight of 240.58 g/mol. Its IUPAC name is magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
PubChem CID174968712
Molecular FormulaC11H20MgO4
Molecular Weight240.58 g/mol
Exact Mass240.12
IUPAC Namemagnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
SMILESCCC(C(=O)O)(C(=O)O)C1CCCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H18O4.Mg.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;/h8H,2-7H2,1H3,(H,12,13)(H,14,15);;;/q;+2;2*-1
InChIKeyZMPZMNKEZYXEEF-UHFFFAOYSA-N
XLogP1.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.58
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
2-cyclohexyl-2-ethyl-3-propylidenebutanedioic acid
CID 70869340
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
2-cyclopentyl-2-ethyl-3-pentylidenebutanedioic acid
CID 70869487
2-cyclohexyl-2-diethylsilylbutanoic acid
CID 150655220
2-cyclohexyl-2-dipropylsilylbutanoic acid
CID 152592863
2-butyl-2-cyclohexyl-3-pentylidenebutanedioic acid
CID 70925921
2-(2-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869575
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140

Frequently Asked Questions

What is the IUPAC name of magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride?
The IUPAC name of magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride (CID 174968712) is magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride is CCC(C(=O)O)(C(=O)O)C1CCCCC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride?
The InChIKey is ZMPZMNKEZYXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4.Mg.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;/h8H,2-7H2,1H3,(H,12,13)(H,14,15);;;/q;+2;2*-1.
What are the key properties of magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride?
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride has a molecular weight of 240.58 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride is sourced from PubChem (CID 174968712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).