trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride

C19H40Cl4Mg3O2 — CID 161310817

IUPACtrimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
SMILESC.[CH2-]CCCCCCCC[O-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[O-]CCCCCCCCCCl
InChIInChI=1S/C9H18ClO.C9H18O.CH4.3ClH.3Mg/c10-8-6-4-2-1-3-5-7-9-11;1-2-3-4-5-6-7-8-9-10;;;;;;;/h1-9H2;1-9H2;1H4;3*1H;;;/q-1;-2;;;;;3*+2/p-3
InChIKeyYNURQJMHYTYLEU-UHFFFAOYSA-K
MW515.25 g/mol
LogP-5.27
Rot. Bonds15

About trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride

trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride (PubChem CID 161310817) has the molecular formula C19H40Cl4Mg3O2 and a molecular weight of 515.25 g/mol. Its IUPAC name is trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride.

Molecular Properties

Compound Nametrimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
PubChem CID161310817
Molecular FormulaC19H40Cl4Mg3O2
Molecular Weight515.25 g/mol
Exact Mass512.13
IUPAC Nametrimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
SMILESC.[CH2-]CCCCCCCC[O-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[O-]CCCCCCCCCCl
InChIInChI=1S/C9H18ClO.C9H18O.CH4.3ClH.3Mg/c10-8-6-4-2-1-3-5-7-9-11;1-2-3-4-5-6-7-8-9-10;;;;;;;/h1-9H2;1-9H2;1H4;3*1H;;;/q-1;-2;;;;;3*+2/p-3
InChIKeyYNURQJMHYTYLEU-UHFFFAOYSA-K
XLogP-5.27
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.25
LogP ≤ 5-5.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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dimagnesium;dodecane;dibromide
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Frequently Asked Questions

What is the IUPAC name of trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride?
The IUPAC name of trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride (CID 161310817) is trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride.
What is the SMILES notation for trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride?
The canonical SMILES for trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride is C.[CH2-]CCCCCCCC[O-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[O-]CCCCCCCCCCl.
What is the InChIKey of trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride?
The InChIKey is YNURQJMHYTYLEU-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H18ClO.C9H18O.CH4.3ClH.3Mg/c10-8-6-4-2-1-3-5-7-9-11;1-2-3-4-5-6-7-8-9-10;;;;;;;/h1-9H2;1-9H2;1H4;3*1H;;;/q-1;-2;;;;;3*+2/p-3.
What are the key properties of trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride?
trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride has a molecular weight of 515.25 g/mol, XLogP of -5.27, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride is sourced from PubChem (CID 161310817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).