methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium

C14H30O6P4+4 — CID 57054623

IUPACmethyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium
SMILESC[P+](=O)O[P+](=O)CCCCCCCCCCCC[P+](=O)O[P+](C)=O
InChIInChI=1S/C14H30O6P4/c1-21(15)19-23(17)13-11-9-7-5-3-4-6-8-10-12-14-24(18)20-22(2)16/h3-14H2,1-2H3/q+4
InChIKeyAQCXKBRNYVWEKC-UHFFFAOYSA-N
MW418.28 g/mol
LogP7.15
Rot. Bonds17

About methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium

methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium (PubChem CID 57054623) has the molecular formula C14H30O6P4+4 and a molecular weight of 418.28 g/mol. Its IUPAC name is methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium.

Molecular Properties

Compound Namemethyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium
PubChem CID57054623
Molecular FormulaC14H30O6P4+4
Molecular Weight418.28 g/mol
Exact Mass418.10
IUPAC Namemethyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium
SMILESC[P+](=O)O[P+](=O)CCCCCCCCCCCC[P+](=O)O[P+](C)=O
InChIInChI=1S/C14H30O6P4/c1-21(15)19-23(17)13-11-9-7-5-3-4-6-8-10-12-14-24(18)20-22(2)16/h3-14H2,1-2H3/q+4
InChIKeyAQCXKBRNYVWEKC-UHFFFAOYSA-N
XLogP7.15
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.28
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium?
The IUPAC name of methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium (CID 57054623) is methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium.
What is the SMILES notation for methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium?
The canonical SMILES for methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium is C[P+](=O)O[P+](=O)CCCCCCCCCCCC[P+](=O)O[P+](C)=O.
What is the InChIKey of methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium?
The InChIKey is AQCXKBRNYVWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6P4/c1-21(15)19-23(17)13-11-9-7-5-3-4-6-8-10-12-14-24(18)20-22(2)16/h3-14H2,1-2H3/q+4.
What are the key properties of methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium?
methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium has a molecular weight of 418.28 g/mol, XLogP of 7.15, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[12-[[methyl(oxo)phosphaniumyl]oxy-oxophosphaniumyl]dodecyl-oxophosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 57054623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).