magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate

C18H26MgO7P2 — CID 173440052

IUPACmagnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
SMILESCC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)OP(=O)(O)O)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H24O7P2.Mg.2H/c1-13(2)15-5-9-17(10-6-15)23-27(22,25-26(19,20)21)24-18-11-7-16(8-12-18)14(3)4;;;/h5-14H,1-4H3,(H2,19,20,21);;;/q;+2;2*-1
InChIKeyXTLIXKWNWNQSGR-UHFFFAOYSA-N
MW440.65 g/mol
LogP5.45
Rot. Bonds8

About magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate

magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate (PubChem CID 173440052) has the molecular formula C18H26MgO7P2 and a molecular weight of 440.65 g/mol. Its IUPAC name is magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate.

Molecular Properties

Compound Namemagnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
PubChem CID173440052
Molecular FormulaC18H26MgO7P2
Molecular Weight440.65 g/mol
Exact Mass440.10
IUPAC Namemagnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
SMILESCC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)OP(=O)(O)O)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H24O7P2.Mg.2H/c1-13(2)15-5-9-17(10-6-15)23-27(22,25-26(19,20)21)24-18-11-7-16(8-12-18)14(3)4;;;/h5-14H,1-4H3,(H2,19,20,21);;;/q;+2;2*-1
InChIKeyXTLIXKWNWNQSGR-UHFFFAOYSA-N
XLogP5.45
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
CID 174297750
1,4-di(propan-2-yl)benzene;phosphoric acid
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bis(2,3,4,5,6-pentadeuteriophenyl) (4-propan-2-ylphenyl) phosphate
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[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
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(4-propan-2-ylphenyl) propyl hydrogen phosphate
CID 175182097
tris[[methyl-(4-propan-2-ylphenoxy)phosphoryl]oxy]alumane
CID 141386730
CID 172652800
CID 172652800
[4-[hydroxy(phosphonooxy)phosphoryl]oxyphenyl] phosphono hydrogen phosphate
CID 87621528
[hydroxy-(4-propan-2-ylphenoxy)phosphoryl] benzoate
CID 175426192
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate?
The IUPAC name of magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate (CID 173440052) is magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate.
What is the SMILES notation for magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate?
The canonical SMILES for magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate is CC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)OP(=O)(O)O)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate?
The InChIKey is XTLIXKWNWNQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O7P2.Mg.2H/c1-13(2)15-5-9-17(10-6-15)23-27(22,25-26(19,20)21)24-18-11-7-16(8-12-18)14(3)4;;;/h5-14H,1-4H3,(H2,19,20,21);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate?
magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate has a molecular weight of 440.65 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate is sourced from PubChem (CID 173440052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).