tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid

C15H36O5P2 — CID 161196788

IUPACtert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid
SMILESCC(C)(C)OP(=O)(O)C(C)(C)C.CC(C)P(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P.C7H17O2P/c1-7(2,3)11-12(9,10)8(4,5)6;1-6(2)10(8,9)7(3,4)5/h1-6H3,(H,9,10);6H,1-5H3,(H,8,9)
InChIKeyUULJUJHCQOPVJT-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.25
Rot. Bonds2

About tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid

tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid (PubChem CID 161196788) has the molecular formula C15H36O5P2 and a molecular weight of 358.40 g/mol. Its IUPAC name is tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid.

Molecular Properties

Compound Nametert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid
PubChem CID161196788
Molecular FormulaC15H36O5P2
Molecular Weight358.40 g/mol
Exact Mass358.20
IUPAC Nametert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid
SMILESCC(C)(C)OP(=O)(O)C(C)(C)C.CC(C)P(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P.C7H17O2P/c1-7(2,3)11-12(9,10)8(4,5)6;1-6(2)10(8,9)7(3,4)5/h1-6H3,(H,9,10);6H,1-5H3,(H,8,9)
InChIKeyUULJUJHCQOPVJT-UHFFFAOYSA-N
XLogP5.25
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131873404
CID 131873404
tert-butyl(methoxy)phosphinic acid
CID 14945264
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
tert-butyl methoxy hydrogen phosphate
CID 172731458
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid?
The IUPAC name of tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid (CID 161196788) is tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid.
What is the SMILES notation for tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid?
The canonical SMILES for tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid is CC(C)(C)OP(=O)(O)C(C)(C)C.CC(C)P(=O)(O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid?
The InChIKey is UULJUJHCQOPVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.C7H17O2P/c1-7(2,3)11-12(9,10)8(4,5)6;1-6(2)10(8,9)7(3,4)5/h1-6H3,(H,9,10);6H,1-5H3,(H,8,9).
What are the key properties of tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid?
tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid has a molecular weight of 358.40 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid is sourced from PubChem (CID 161196788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).