methane;nitroxyl;phosphane;tetrakis(tritium monohydride)

C9H51N4O4P — CID 160759213

IUPACmethane;nitroxyl;phosphane;tetrakis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.N=O.N=O.N=O.N=O.P.[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/9CH4.4HNO.H3P.4H2/c;;;;;;;;;4*1-2;;;;;/h9*1H4;4*1H;1H3;4*1H/i;;;;;;;;;;;;;;4*1+2
InChIKeyRXVITFNGJWDYLM-QLRUWMOGSA-N
MW318.54 g/mol
LogP8.09
Rot. Bonds

About methane;nitroxyl;phosphane;tetrakis(tritium monohydride)

methane;nitroxyl;phosphane;tetrakis(tritium monohydride) (PubChem CID 160759213) has the molecular formula C9H51N4O4P and a molecular weight of 318.54 g/mol. Its IUPAC name is methane;nitroxyl;phosphane;tetrakis(tritium monohydride).

Molecular Properties

Compound Namemethane;nitroxyl;phosphane;tetrakis(tritium monohydride)
PubChem CID160759213
Molecular FormulaC9H51N4O4P
Molecular Weight318.54 g/mol
Exact Mass318.40
IUPAC Namemethane;nitroxyl;phosphane;tetrakis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.N=O.N=O.N=O.N=O.P.[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/9CH4.4HNO.H3P.4H2/c;;;;;;;;;4*1-2;;;;;/h9*1H4;4*1H;1H3;4*1H/i;;;;;;;;;;;;;;4*1+2
InChIKeyRXVITFNGJWDYLM-QLRUWMOGSA-N
XLogP8.09
TPSA163.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 58.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 159863968
methane;dodecakis(tritium monohydride)
CID 158625568
methane;bis(tritium monohydride)
CID 169423997
methane;decakis(tritium monohydride)
CID 158622730
CID 158190889
CID 158190889
CID 160665474
CID 160665474
methane;nitroxyl;vanadium
CID 158546905
azane;methane;phosphane;bis(tritium monohydride);vanadium;hydrofluoride
CID 167687782
deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide
CID 157135963
azane;methane;tritium monohydride;tetrahydrofluoride;hydroiodide
CID 159084807
potassium;methane;sulfane;tritide;tritium monohydride
CID 159895481
CID 157150377
CID 157150377

Frequently Asked Questions

What is the IUPAC name of methane;nitroxyl;phosphane;tetrakis(tritium monohydride)?
The IUPAC name of methane;nitroxyl;phosphane;tetrakis(tritium monohydride) (CID 160759213) is methane;nitroxyl;phosphane;tetrakis(tritium monohydride).
What is the SMILES notation for methane;nitroxyl;phosphane;tetrakis(tritium monohydride)?
The canonical SMILES for methane;nitroxyl;phosphane;tetrakis(tritium monohydride) is C.C.C.C.C.C.C.C.C.N=O.N=O.N=O.N=O.P.[H][3H].[H][3H].[H][3H].[H][3H].
What is the InChIKey of methane;nitroxyl;phosphane;tetrakis(tritium monohydride)?
The InChIKey is RXVITFNGJWDYLM-QLRUWMOGSA-N. The full InChI is InChI=1S/9CH4.4HNO.H3P.4H2/c;;;;;;;;;4*1-2;;;;;/h9*1H4;4*1H;1H3;4*1H/i;;;;;;;;;;;;;;4*1+2.
What are the key properties of methane;nitroxyl;phosphane;tetrakis(tritium monohydride)?
methane;nitroxyl;phosphane;tetrakis(tritium monohydride) has a molecular weight of 318.54 g/mol, XLogP of 8.09, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;nitroxyl;phosphane;tetrakis(tritium monohydride) is sourced from PubChem (CID 160759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).