tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate

C8H18O8P3-3 — CID 177074901

IUPACtert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
SMILESCC(C)(C)P(=O)([O-])OP(=O)([O-])OP(=O)([O-])C(C)(C)C
InChIInChI=1S/C8H21O8P3/c1-7(2,3)17(9,10)15-19(13,14)16-18(11,12)8(4,5)6/h1-6H3,(H,9,10)(H,11,12)(H,13,14)/p-3
InChIKeyCTDQEXAWNWLLHG-UHFFFAOYSA-K
MW335.15 g/mol
LogP1.19
Rot. Bonds4

About tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate

tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate (PubChem CID 177074901) has the molecular formula C8H18O8P3-3 and a molecular weight of 335.15 g/mol. Its IUPAC name is tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate.

Molecular Properties

Compound Nametert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
PubChem CID177074901
Molecular FormulaC8H18O8P3-3
Molecular Weight335.15 g/mol
Exact Mass335.02
IUPAC Nametert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
SMILESCC(C)(C)P(=O)([O-])OP(=O)([O-])OP(=O)([O-])C(C)(C)C
InChIInChI=1S/C8H21O8P3/c1-7(2,3)17(9,10)15-19(13,14)16-18(11,12)8(4,5)6/h1-6H3,(H,9,10)(H,11,12)(H,13,14)/p-3
InChIKeyCTDQEXAWNWLLHG-UHFFFAOYSA-K
XLogP1.19
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
silver ditert-butyl phosphate
CID 18428988
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
aluminum tris(ditert-butylphosphinate)
CID 175284123
phosphanium dimethyl phosphate
CID 118555188
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
barium(2+);bis(dimethyl phosphate)
CID 3835926
methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
CID 176877571

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The IUPAC name of tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate (CID 177074901) is tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate.
What is the SMILES notation for tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The canonical SMILES for tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate is CC(C)(C)P(=O)([O-])OP(=O)([O-])OP(=O)([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The InChIKey is CTDQEXAWNWLLHG-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H21O8P3/c1-7(2,3)17(9,10)15-19(13,14)16-18(11,12)8(4,5)6/h1-6H3,(H,9,10)(H,11,12)(H,13,14)/p-3.
What are the key properties of tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate has a molecular weight of 335.15 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate is sourced from PubChem (CID 177074901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).