sodium;methoxymethane;cyanide

C3H6NNaO — CID 173418041

IUPACsodium;methoxymethane;cyanide
SMILESCOC.[C-]#N.[Na+]
InChIInChI=1S/C2H6O.CN.Na/c1-3-2;1-2;/h1-2H3;;/q;-1;+1
InChIKeyRFGHCRRTQAJJNZ-UHFFFAOYSA-N
MW95.08 g/mol
LogP-2.64
Rot. Bonds

About sodium;methoxymethane;cyanide

sodium;methoxymethane;cyanide (PubChem CID 173418041) has the molecular formula C3H6NNaO and a molecular weight of 95.08 g/mol. Its IUPAC name is sodium;methoxymethane;cyanide.

Molecular Properties

Compound Namesodium;methoxymethane;cyanide
PubChem CID173418041
Molecular FormulaC3H6NNaO
Molecular Weight95.08 g/mol
Exact Mass95.03
IUPAC Namesodium;methoxymethane;cyanide
SMILESCOC.[C-]#N.[Na+]
InChIInChI=1S/C2H6O.CN.Na/c1-3-2;1-2;/h1-2H3;;/q;-1;+1
InChIKeyRFGHCRRTQAJJNZ-UHFFFAOYSA-N
XLogP-2.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.08
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;methoxymethane;cyanide?
The IUPAC name of sodium;methoxymethane;cyanide (CID 173418041) is sodium;methoxymethane;cyanide.
What is the SMILES notation for sodium;methoxymethane;cyanide?
The canonical SMILES for sodium;methoxymethane;cyanide is COC.[C-]#N.[Na+].
What is the InChIKey of sodium;methoxymethane;cyanide?
The InChIKey is RFGHCRRTQAJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CN.Na/c1-3-2;1-2;/h1-2H3;;/q;-1;+1.
What are the key properties of sodium;methoxymethane;cyanide?
sodium;methoxymethane;cyanide has a molecular weight of 95.08 g/mol, XLogP of -2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methoxymethane;cyanide is sourced from PubChem (CID 173418041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).