antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate

C18H30Cl2O7PSb — CID 102115420

IUPACantimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
SMILESCC(Cl)C[O-].CC(Cl)C[O-].CCOP(=O)(OCC)C([O-])c1ccc(OC)cc1.[Sb+3]
InChIInChI=1S/C12H18O5P.2C3H6ClO.Sb/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10;2*1-3(4)2-5;/h6-9,12H,4-5H2,1-3H3;2*3H,2H2,1H3;/q3*-1;+3
InChIKeyLKAOXHZLUXAYIC-UHFFFAOYSA-N
MW582.07 g/mol
LogP1.89
Rot. Bonds9

About antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate

antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate (PubChem CID 102115420) has the molecular formula C18H30Cl2O7PSb and a molecular weight of 582.07 g/mol. Its IUPAC name is antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate.

Molecular Properties

Compound Nameantimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
PubChem CID102115420
Molecular FormulaC18H30Cl2O7PSb
Molecular Weight582.07 g/mol
Exact Mass580.01
IUPAC Nameantimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
SMILESCC(Cl)C[O-].CC(Cl)C[O-].CCOP(=O)(OCC)C([O-])c1ccc(OC)cc1.[Sb+3]
InChIInChI=1S/C12H18O5P.2C3H6ClO.Sb/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10;2*1-3(4)2-5;/h6-9,12H,4-5H2,1-3H3;2*3H,2H2,1H3;/q3*-1;+3
InChIKeyLKAOXHZLUXAYIC-UHFFFAOYSA-N
XLogP1.89
TPSA113.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.07
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
1-N,3-N-bis[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 45258828
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
CID 101471387
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-nitroaniline
CID 102356738
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504

Frequently Asked Questions

What is the IUPAC name of antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate?
The IUPAC name of antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate (CID 102115420) is antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate.
What is the SMILES notation for antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate?
The canonical SMILES for antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate is CC(Cl)C[O-].CC(Cl)C[O-].CCOP(=O)(OCC)C([O-])c1ccc(OC)cc1.[Sb+3].
What is the InChIKey of antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate?
The InChIKey is LKAOXHZLUXAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5P.2C3H6ClO.Sb/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10;2*1-3(4)2-5;/h6-9,12H,4-5H2,1-3H3;2*3H,2H2,1H3;/q3*-1;+3.
What are the key properties of antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate?
antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate has a molecular weight of 582.07 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate is sourced from PubChem (CID 102115420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).