[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid

C8H20O6P2 — CID 158213950

IUPAC[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C8H20O6P2/c1-7(2)6-15(9,10)14-16(11,12)13-8(3,4)5/h7H,6H2,1-5H3,(H,9,10)(H,11,12)
InChIKeyGCKJHXKYYAIEMX-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.76
Rot. Bonds5

About [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid

[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid (PubChem CID 158213950) has the molecular formula C8H20O6P2 and a molecular weight of 274.19 g/mol. Its IUPAC name is [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Name[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
PubChem CID158213950
Molecular FormulaC8H20O6P2
Molecular Weight274.19 g/mol
Exact Mass274.07
IUPAC Name[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C8H20O6P2/c1-7(2)6-15(9,10)14-16(11,12)13-8(3,4)5/h7H,6H2,1-5H3,(H,9,10)(H,11,12)
InChIKeyGCKJHXKYYAIEMX-UHFFFAOYSA-N
XLogP2.76
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131873404
CID 131873404
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
tert-butyl methoxy hydrogen phosphate
CID 172731458
bis(2-methylpropyl)phosphinic acid
CID 10233207
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
tert-butyl ethynyl hydrogen phosphate
CID 175106066
benzyl tert-butyl hydrogen phosphate
CID 140989025
ditert-butyl hydrogen phosphate;tetrabutylazanium
CID 86222702

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid?
The IUPAC name of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid (CID 158213950) is [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid.
What is the SMILES notation for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid?
The canonical SMILES for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid is CC(C)CP(=O)(O)OP(=O)(O)OC(C)(C)C.
What is the InChIKey of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid?
The InChIKey is GCKJHXKYYAIEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O6P2/c1-7(2)6-15(9,10)14-16(11,12)13-8(3,4)5/h7H,6H2,1-5H3,(H,9,10)(H,11,12).
What are the key properties of [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid?
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid has a molecular weight of 274.19 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 158213950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).