dilithium;hydroxymethanediolate

CH2Li2O3 — CID 174060221

IUPACdilithium;hydroxymethanediolate
SMILES[Li+].[Li+].[O-]C([O-])O
InChIInChI=1S/CH2O3.2Li/c2-1(3)4;;/h1-2H;;/q-2;2*+1
InChIKeyRFNSIPVHCXRBNO-UHFFFAOYSA-N
MW75.91 g/mol
LogP-9.01
Rot. Bonds

About dilithium;hydroxymethanediolate

dilithium;hydroxymethanediolate (PubChem CID 174060221) has the molecular formula CH2Li2O3 and a molecular weight of 75.91 g/mol. Its IUPAC name is dilithium;hydroxymethanediolate.

Molecular Properties

Compound Namedilithium;hydroxymethanediolate
PubChem CID174060221
Molecular FormulaCH2Li2O3
Molecular Weight75.91 g/mol
Exact Mass76.03
IUPAC Namedilithium;hydroxymethanediolate
SMILES[Li+].[Li+].[O-]C([O-])O
InChIInChI=1S/CH2O3.2Li/c2-1(3)4;;/h1-2H;;/q-2;2*+1
InChIKeyRFNSIPVHCXRBNO-UHFFFAOYSA-N
XLogP-9.01
TPSA66.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.91
LogP ≤ 5-9.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;hydroxymethanediolate?
The IUPAC name of dilithium;hydroxymethanediolate (CID 174060221) is dilithium;hydroxymethanediolate.
What is the SMILES notation for dilithium;hydroxymethanediolate?
The canonical SMILES for dilithium;hydroxymethanediolate is [Li+].[Li+].[O-]C([O-])O.
What is the InChIKey of dilithium;hydroxymethanediolate?
The InChIKey is RFNSIPVHCXRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.2Li/c2-1(3)4;;/h1-2H;;/q-2;2*+1.
What are the key properties of dilithium;hydroxymethanediolate?
dilithium;hydroxymethanediolate has a molecular weight of 75.91 g/mol, XLogP of -9.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydroxymethanediolate is sourced from PubChem (CID 174060221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).