2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate

C10H22O6P2-2 — CID 162060940

IUPAC2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate
SMILESCC(C)(C)CP(=O)([O-])OCP(=O)([O-])OC(C)(C)C
InChIInChI=1S/C10H24O6P2/c1-9(2,3)7-17(11,12)15-8-18(13,14)16-10(4,5)6/h7-8H2,1-6H3,(H,11,12)(H,13,14)/p-2
InChIKeyYZVHQYTWVQKIMB-UHFFFAOYSA-L
MW300.23 g/mol
LogP1.93
Rot. Bonds5

About 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate

2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate (PubChem CID 162060940) has the molecular formula C10H22O6P2-2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate.

Molecular Properties

Compound Name2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate
PubChem CID162060940
Molecular FormulaC10H22O6P2-2
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate
SMILESCC(C)(C)CP(=O)([O-])OCP(=O)([O-])OC(C)(C)C
InChIInChI=1S/C10H24O6P2/c1-9(2,3)7-17(11,12)15-8-18(13,14)16-10(4,5)6/h7-8H2,1-6H3,(H,11,12)(H,13,14)/p-2
InChIKeyYZVHQYTWVQKIMB-UHFFFAOYSA-L
XLogP1.93
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diazanium;tert-butyl phosphate
CID 121268914
silver ditert-butyl phosphate
CID 18428988
tert-butyl 2,2-dimethylpropyl phosphate;ditert-butyl phosphate;bis(2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane)
CID 159361184
tert-butyl [3-(2,2-dimethylpropoxy)-2,2-bis(2,2-dimethylpropoxymethyl)propyl] phosphate;methane
CID 158753229
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
ditert-butyl methylsulfonylmethyl phosphate
CID 156782919
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
CID 91347347
2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylamino]ethyl ditert-butyl phosphate
CID 88578447
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
tert-butyl chloromethyl methyl phosphate
CID 89409373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate?
The IUPAC name of 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate (CID 162060940) is 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate.
What is the SMILES notation for 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate?
The canonical SMILES for 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate is CC(C)(C)CP(=O)([O-])OCP(=O)([O-])OC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate?
The InChIKey is YZVHQYTWVQKIMB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H24O6P2/c1-9(2,3)7-17(11,12)15-8-18(13,14)16-10(4,5)6/h7-8H2,1-6H3,(H,11,12)(H,13,14)/p-2.
What are the key properties of 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate?
2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate has a molecular weight of 300.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[[(2-methylpropan-2-yl)oxy-oxidophosphoryl]methoxy]phosphinate is sourced from PubChem (CID 162060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).