magnesium dibutyl phosphate

C8H18MgO4P+ — CID 21400580

IUPACmagnesium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[Mg+2]
InChIInChI=1S/C8H19O4P.Mg/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+2/p-1
InChIKeyURVNOWYUABIKOQ-UHFFFAOYSA-M
MW233.51 g/mol
LogP1.71
Rot. Bonds8

About magnesium dibutyl phosphate

magnesium dibutyl phosphate (PubChem CID 21400580) has the molecular formula C8H18MgO4P+ and a molecular weight of 233.51 g/mol. Its IUPAC name is magnesium dibutyl phosphate.

Molecular Properties

Compound Namemagnesium dibutyl phosphate
PubChem CID21400580
Molecular FormulaC8H18MgO4P+
Molecular Weight233.51 g/mol
Exact Mass233.08
IUPAC Namemagnesium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[Mg+2]
InChIInChI=1S/C8H19O4P.Mg/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+2/p-1
InChIKeyURVNOWYUABIKOQ-UHFFFAOYSA-M
XLogP1.71
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.51
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium dibutyl phosphate 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

butyl propyl phosphate;nickel
CID 88805143
dibutyl phosphate;tetramethylphosphanium
CID 87474476
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
dibutyl phosphate;tetraethylazanium
CID 156853023
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924

Frequently Asked Questions

What is the IUPAC name of magnesium dibutyl phosphate?
The IUPAC name of magnesium dibutyl phosphate (CID 21400580) is magnesium dibutyl phosphate.
What is the SMILES notation for magnesium dibutyl phosphate?
The canonical SMILES for magnesium dibutyl phosphate is CCCCOP(=O)([O-])OCCCC.[Mg+2].
What is the InChIKey of magnesium dibutyl phosphate?
The InChIKey is URVNOWYUABIKOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.Mg/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+2/p-1.
What are the key properties of magnesium dibutyl phosphate?
magnesium dibutyl phosphate has a molecular weight of 233.51 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium dibutyl phosphate is sourced from PubChem (CID 21400580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).