methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium

C8H18O4P2+2 — CID 23393003

IUPACmethyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
SMILESC[P+](=O)OCCCCCCO[P+](C)=O
InChIInChI=1S/C8H18O4P2/c1-13(9)11-7-5-3-4-6-8-12-14(2)10/h3-8H2,1-2H3/q+2
InChIKeyAHNWNGFYARMBTP-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.32
Rot. Bonds9

About methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium

methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium (PubChem CID 23393003) has the molecular formula C8H18O4P2+2 and a molecular weight of 240.18 g/mol. Its IUPAC name is methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium.

Molecular Properties

Compound Namemethyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
PubChem CID23393003
Molecular FormulaC8H18O4P2+2
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Namemethyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
SMILESC[P+](=O)OCCCCCCO[P+](C)=O
InChIInChI=1S/C8H18O4P2/c1-13(9)11-7-5-3-4-6-8-12-14(2)10/h3-8H2,1-2H3/q+2
InChIKeyAHNWNGFYARMBTP-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
methyl-oxo-[6,6,6-trifluoro-4,4-bis(trifluoromethyl)hexoxy]phosphanium
CID 58225249
(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate
CID 90836035
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464

Frequently Asked Questions

What is the IUPAC name of methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The IUPAC name of methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium (CID 23393003) is methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium.
What is the SMILES notation for methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The canonical SMILES for methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium is C[P+](=O)OCCCCCCO[P+](C)=O.
What is the InChIKey of methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The InChIKey is AHNWNGFYARMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4P2/c1-13(9)11-7-5-3-4-6-8-12-14(2)10/h3-8H2,1-2H3/q+2.
What are the key properties of methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium has a molecular weight of 240.18 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium is sourced from PubChem (CID 23393003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).