tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium

C18H42O8P2+2 — CID 57032506

IUPACtri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium
SMILESCC(C)O[P+](OO[P+](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C18H42O8P2/c1-13(2)19-27(20-14(3)4,21-15(5)6)25-26-28(22-16(7)8,23-17(9)10)24-18(11)12/h13-18H,1-12H3/q+2
InChIKeyICTPDGBLRJIXIK-UHFFFAOYSA-N
MW448.47 g/mol
LogP6.84
Rot. Bonds15

About tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium

tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium (PubChem CID 57032506) has the molecular formula C18H42O8P2+2 and a molecular weight of 448.47 g/mol. Its IUPAC name is tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium.

Molecular Properties

Compound Nametri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium
PubChem CID57032506
Molecular FormulaC18H42O8P2+2
Molecular Weight448.47 g/mol
Exact Mass448.23
IUPAC Nametri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium
SMILESCC(C)O[P+](OO[P+](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C18H42O8P2/c1-13(2)19-27(20-14(3)4,21-15(5)6)25-26-28(22-16(7)8,23-17(9)10)24-18(11)12/h13-18H,1-12H3/q+2
InChIKeyICTPDGBLRJIXIK-UHFFFAOYSA-N
XLogP6.84
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium?
The IUPAC name of tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium (CID 57032506) is tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium.
What is the SMILES notation for tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium?
The canonical SMILES for tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium is CC(C)O[P+](OO[P+](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium?
The InChIKey is ICTPDGBLRJIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O8P2/c1-13(2)19-27(20-14(3)4,21-15(5)6)25-26-28(22-16(7)8,23-17(9)10)24-18(11)12/h13-18H,1-12H3/q+2.
What are the key properties of tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium?
tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium has a molecular weight of 448.47 g/mol, XLogP of 6.84, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-tri(propan-2-yloxy)phosphaniumylperoxyphosphanium is sourced from PubChem (CID 57032506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).