methane;methyl(3-trihydroxysilylpropoxy)phosphinate

C5H16O6PSi- — CID 165099951

IUPACmethane;methyl(3-trihydroxysilylpropoxy)phosphinate
SMILESC.CP(=O)([O-])OCCC[Si](O)(O)O
InChIInChI=1S/C4H13O6PSi.CH4/c1-11(5,6)10-3-2-4-12(7,8)9;/h7-9H,2-4H2,1H3,(H,5,6);1H4/p-1
InChIKeyYDTGOLKPWVQJQZ-UHFFFAOYSA-M
MW231.24 g/mol
LogP-0.87
Rot. Bonds5

About methane;methyl(3-trihydroxysilylpropoxy)phosphinate

methane;methyl(3-trihydroxysilylpropoxy)phosphinate (PubChem CID 165099951) has the molecular formula C5H16O6PSi- and a molecular weight of 231.24 g/mol. Its IUPAC name is methane;methyl(3-trihydroxysilylpropoxy)phosphinate.

Molecular Properties

Compound Namemethane;methyl(3-trihydroxysilylpropoxy)phosphinate
PubChem CID165099951
Molecular FormulaC5H16O6PSi-
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Namemethane;methyl(3-trihydroxysilylpropoxy)phosphinate
SMILESC.CP(=O)([O-])OCCC[Si](O)(O)O
InChIInChI=1S/C4H13O6PSi.CH4/c1-11(5,6)10-3-2-4-12(7,8)9;/h7-9H,2-4H2,1H3,(H,5,6);1H4/p-1
InChIKeyYDTGOLKPWVQJQZ-UHFFFAOYSA-M
XLogP-0.87
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethoxy(methyl)phosphinate
CID 140680412
methyl(9-propan-2-yloxynonoxy)phosphinate
CID 140649325
3-trihydroxysilylpropyl methanesulfonate
CID 164997889
dioxido-oxo-(4-trihydroxysilylbutyl)-λ5-phosphane
CID 22719275
2-trihydroxysilylethyl dihydrogen phosphate
CID 140811074
butyl phosphate;titanium(2+)
CID 141032733
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-oxidophosphoryl]oxyethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy-oxidophosphoryl]oxyethoxy]ethoxy]ethoxy-methylphosphinate
CID 158978362
methyl-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[6-(3-methylsulfanylpropanoylamino)hexoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy]phosphinate
CID 162711085
methyl-[6-[(4-methyl-4-methylsulfanylpentanoyl)amino]hexoxy]phosphinate
CID 162711103
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
18-(4-iodophenyl)octadecoxy-methylphosphinate
CID 58185125
ethoxy-[3-[methoxy(methyl)phosphoryl]oxypropyl]-dimethylsilane
CID 57271043

Frequently Asked Questions

What is the IUPAC name of methane;methyl(3-trihydroxysilylpropoxy)phosphinate?
The IUPAC name of methane;methyl(3-trihydroxysilylpropoxy)phosphinate (CID 165099951) is methane;methyl(3-trihydroxysilylpropoxy)phosphinate.
What is the SMILES notation for methane;methyl(3-trihydroxysilylpropoxy)phosphinate?
The canonical SMILES for methane;methyl(3-trihydroxysilylpropoxy)phosphinate is C.CP(=O)([O-])OCCC[Si](O)(O)O.
What is the InChIKey of methane;methyl(3-trihydroxysilylpropoxy)phosphinate?
The InChIKey is YDTGOLKPWVQJQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H13O6PSi.CH4/c1-11(5,6)10-3-2-4-12(7,8)9;/h7-9H,2-4H2,1H3,(H,5,6);1H4/p-1.
What are the key properties of methane;methyl(3-trihydroxysilylpropoxy)phosphinate?
methane;methyl(3-trihydroxysilylpropoxy)phosphinate has a molecular weight of 231.24 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl(3-trihydroxysilylpropoxy)phosphinate is sourced from PubChem (CID 165099951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).