methane;potassiopotassium;nitrate;hydrate

C6H26K2NO4- — CID 167547738

IUPACmethane;potassiopotassium;nitrate;hydrate
SMILESC.C.C.C.C.C.O.O=[N+]([O-])[O-].[K][K]
InChIInChI=1S/6CH4.2K.NO3.H2O/c;;;;;;;;2-1(3)4;/h6*1H4;;;;1H2/q;;;;;;;;-1;
InChIKeyCDABBOURLRRJBR-UHFFFAOYSA-N
MW254.47 g/mol
LogP1.99
Rot. Bonds

About methane;potassiopotassium;nitrate;hydrate

methane;potassiopotassium;nitrate;hydrate (PubChem CID 167547738) has the molecular formula C6H26K2NO4- and a molecular weight of 254.47 g/mol. Its IUPAC name is methane;potassiopotassium;nitrate;hydrate.

Molecular Properties

Compound Namemethane;potassiopotassium;nitrate;hydrate
PubChem CID167547738
Molecular FormulaC6H26K2NO4-
Molecular Weight254.47 g/mol
Exact Mass254.11
IUPAC Namemethane;potassiopotassium;nitrate;hydrate
SMILESC.C.C.C.C.C.O.O=[N+]([O-])[O-].[K][K]
InChIInChI=1S/6CH4.2K.NO3.H2O/c;;;;;;;;2-1(3)4;/h6*1H4;;;;1H2/q;;;;;;;;-1;
InChIKeyCDABBOURLRRJBR-UHFFFAOYSA-N
XLogP1.99
TPSA97.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

platinum(2+);dinitrate;hydrate
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beryllium;nitrate;tetrahydrate
CID 19806872
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bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
holmium;nitrate;trihydrate
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cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090
cerium(3+);pentanitrate;hydrate
CID 139249254
sodium;nitrate;tetrahydrate
CID 162201136
dysprosium(3+);trinitrate;pentahydrate
CID 91886635
erbium(3+);trinitrate;tetrahydrate
CID 172858515
dibismuth;hexanitrate;pentahydrate
CID 158893805

Frequently Asked Questions

What is the IUPAC name of methane;potassiopotassium;nitrate;hydrate?
The IUPAC name of methane;potassiopotassium;nitrate;hydrate (CID 167547738) is methane;potassiopotassium;nitrate;hydrate.
What is the SMILES notation for methane;potassiopotassium;nitrate;hydrate?
The canonical SMILES for methane;potassiopotassium;nitrate;hydrate is C.C.C.C.C.C.O.O=[N+]([O-])[O-].[K][K].
What is the InChIKey of methane;potassiopotassium;nitrate;hydrate?
The InChIKey is CDABBOURLRRJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/6CH4.2K.NO3.H2O/c;;;;;;;;2-1(3)4;/h6*1H4;;;;1H2/q;;;;;;;;-1;.
What are the key properties of methane;potassiopotassium;nitrate;hydrate?
methane;potassiopotassium;nitrate;hydrate has a molecular weight of 254.47 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;potassiopotassium;nitrate;hydrate is sourced from PubChem (CID 167547738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).