disodium;carbanide;methane;methanolate

C5H17Na2O- — CID 161314869

IUPACdisodium;carbanide;methane;methanolate
SMILESC.C.C[O-].[CH3-].[CH3-].[Na+].[Na+]
InChIInChI=1S/CH3O.2CH4.2CH3.2Na/c1-2;;;;;;/h1H3;2*1H4;2*1H3;;/q-1;;;2*-1;2*+1
InChIKeyLCOHEMDLLLLHCR-UHFFFAOYSA-N
MW139.17 g/mol
LogP-4.84
Rot. Bonds

About disodium;carbanide;methane;methanolate

disodium;carbanide;methane;methanolate (PubChem CID 161314869) has the molecular formula C5H17Na2O- and a molecular weight of 139.17 g/mol. Its IUPAC name is disodium;carbanide;methane;methanolate.

Molecular Properties

Compound Namedisodium;carbanide;methane;methanolate
PubChem CID161314869
Molecular FormulaC5H17Na2O-
Molecular Weight139.17 g/mol
Exact Mass139.11
IUPAC Namedisodium;carbanide;methane;methanolate
SMILESC.C.C[O-].[CH3-].[CH3-].[Na+].[Na+]
InChIInChI=1S/CH3O.2CH4.2CH3.2Na/c1-2;;;;;;/h1H3;2*1H4;2*1H3;;/q-1;;;2*-1;2*+1
InChIKeyLCOHEMDLLLLHCR-UHFFFAOYSA-N
XLogP-4.84
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 5-4.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 disodium;carbanide;methane;methanolate?
The IUPAC name of disodium;carbanide;methane;methanolate (CID 161314869) is disodium;carbanide;methane;methanolate.
What is the SMILES notation for disodium;carbanide;methane;methanolate?
The canonical SMILES for disodium;carbanide;methane;methanolate is C.C.C[O-].[CH3-].[CH3-].[Na+].[Na+].
What is the InChIKey of disodium;carbanide;methane;methanolate?
The InChIKey is LCOHEMDLLLLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O.2CH4.2CH3.2Na/c1-2;;;;;;/h1H3;2*1H4;2*1H3;;/q-1;;;2*-1;2*+1.
What are the key properties of disodium;carbanide;methane;methanolate?
disodium;carbanide;methane;methanolate has a molecular weight of 139.17 g/mol, XLogP of -4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;carbanide;methane;methanolate is sourced from PubChem (CID 161314869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).