oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium

C22H24O6P2+2 — CID 59073122

IUPACoxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)OC12CC3CC(C1)CC(O[P+](=O)Oc1ccccc1)(C3)C2
InChIInChI=1S/C22H24O6P2/c23-29(25-19-7-3-1-4-8-19)27-21-12-17-11-18(13-21)15-22(14-17,16-21)28-30(24)26-20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/q+2
InChIKeyYGOKMFMJPGADFB-UHFFFAOYSA-N
MW446.38 g/mol
LogP6.58
Rot. Bonds8

About oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium

oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium (PubChem CID 59073122) has the molecular formula C22H24O6P2+2 and a molecular weight of 446.38 g/mol. Its IUPAC name is oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium.

Molecular Properties

Compound Nameoxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium
PubChem CID59073122
Molecular FormulaC22H24O6P2+2
Molecular Weight446.38 g/mol
Exact Mass446.10
IUPAC Nameoxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)OC12CC3CC(C1)CC(O[P+](=O)Oc1ccccc1)(C3)C2
InChIInChI=1S/C22H24O6P2/c23-29(25-19-7-3-1-4-8-19)27-21-12-17-11-18(13-21)15-22(14-17,16-21)28-30(24)26-20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/q+2
InChIKeyYGOKMFMJPGADFB-UHFFFAOYSA-N
XLogP6.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium?
The IUPAC name of oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium (CID 59073122) is oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium.
What is the SMILES notation for oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium?
The canonical SMILES for oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium is O=[P+](Oc1ccccc1)OC12CC3CC(C1)CC(O[P+](=O)Oc1ccccc1)(C3)C2.
What is the InChIKey of oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium?
The InChIKey is YGOKMFMJPGADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6P2/c23-29(25-19-7-3-1-4-8-19)27-21-12-17-11-18(13-21)15-22(14-17,16-21)28-30(24)26-20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/q+2.
What are the key properties of oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium?
oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium has a molecular weight of 446.38 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[[3-[oxo(phenoxy)phosphaniumyl]oxy-1-adamantyl]oxy]-phenoxyphosphanium is sourced from PubChem (CID 59073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).