magnesium 2,6-dimethylheptan-4-yl phosphate

C9H19MgO4P — CID 172766773

IUPACmagnesium 2,6-dimethylheptan-4-yl phosphate
SMILESCC(C)CC(CC(C)C)OP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C9H21O4P.Mg/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);/q;+2/p-2
InChIKeyMKLNXTUOLSPEOG-UHFFFAOYSA-L
MW246.53 g/mol
LogP0.91
Rot. Bonds6

About magnesium 2,6-dimethylheptan-4-yl phosphate

magnesium 2,6-dimethylheptan-4-yl phosphate (PubChem CID 172766773) has the molecular formula C9H19MgO4P and a molecular weight of 246.53 g/mol. Its IUPAC name is magnesium 2,6-dimethylheptan-4-yl phosphate.

Molecular Properties

Compound Namemagnesium 2,6-dimethylheptan-4-yl phosphate
PubChem CID172766773
Molecular FormulaC9H19MgO4P
Molecular Weight246.53 g/mol
Exact Mass246.09
IUPAC Namemagnesium 2,6-dimethylheptan-4-yl phosphate
SMILESCC(C)CC(CC(C)C)OP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C9H21O4P.Mg/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);/q;+2/p-2
InChIKeyMKLNXTUOLSPEOG-UHFFFAOYSA-L
XLogP0.91
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
sodium 1,3-dihydroxypropan-2-yl phosphate
CID 19940238
dipotassium;butan-2-yl phosphate
CID 21353345
2-methylpropyl phosphate
CID 22629809
disodium;octan-3-yl phosphate
CID 87948378
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate
CID 174547407
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
sodium methyl(2-methylpropyl)phosphinate
CID 141477458

Frequently Asked Questions

What is the IUPAC name of magnesium 2,6-dimethylheptan-4-yl phosphate?
The IUPAC name of magnesium 2,6-dimethylheptan-4-yl phosphate (CID 172766773) is magnesium 2,6-dimethylheptan-4-yl phosphate.
What is the SMILES notation for magnesium 2,6-dimethylheptan-4-yl phosphate?
The canonical SMILES for magnesium 2,6-dimethylheptan-4-yl phosphate is CC(C)CC(CC(C)C)OP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium 2,6-dimethylheptan-4-yl phosphate?
The InChIKey is MKLNXTUOLSPEOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H21O4P.Mg/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);/q;+2/p-2.
What are the key properties of magnesium 2,6-dimethylheptan-4-yl phosphate?
magnesium 2,6-dimethylheptan-4-yl phosphate has a molecular weight of 246.53 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2,6-dimethylheptan-4-yl phosphate is sourced from PubChem (CID 172766773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).