dilithium;2-methanidyl-2-methylpropan-1-olate

C5H10Li2O — CID 23693268

IUPACdilithium;2-methanidyl-2-methylpropan-1-olate
SMILES[CH2-]C(C)(C)C[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-5(2,3)4-6;;/h1,4H2,2-3H3;;/q-2;2*+1
InChIKeyBIZXMWOOFBWGLG-UHFFFAOYSA-N
MW100.02 g/mol
LogP-5.79
Rot. Bonds1

About dilithium;2-methanidyl-2-methylpropan-1-olate

dilithium;2-methanidyl-2-methylpropan-1-olate (PubChem CID 23693268) has the molecular formula C5H10Li2O and a molecular weight of 100.02 g/mol. Its IUPAC name is dilithium;2-methanidyl-2-methylpropan-1-olate.

Molecular Properties

Compound Namedilithium;2-methanidyl-2-methylpropan-1-olate
PubChem CID23693268
Molecular FormulaC5H10Li2O
Molecular Weight100.02 g/mol
Exact Mass100.11
IUPAC Namedilithium;2-methanidyl-2-methylpropan-1-olate
SMILES[CH2-]C(C)(C)C[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-5(2,3)4-6;;/h1,4H2,2-3H3;;/q-2;2*+1
InChIKeyBIZXMWOOFBWGLG-UHFFFAOYSA-N
XLogP-5.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.02
LogP ≤ 5-5.79
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 dilithium;2-methanidyl-2-methylpropan-1-olate?
The IUPAC name of dilithium;2-methanidyl-2-methylpropan-1-olate (CID 23693268) is dilithium;2-methanidyl-2-methylpropan-1-olate.
What is the SMILES notation for dilithium;2-methanidyl-2-methylpropan-1-olate?
The canonical SMILES for dilithium;2-methanidyl-2-methylpropan-1-olate is [CH2-]C(C)(C)C[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-methanidyl-2-methylpropan-1-olate?
The InChIKey is BIZXMWOOFBWGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.2Li/c1-5(2,3)4-6;;/h1,4H2,2-3H3;;/q-2;2*+1.
What are the key properties of dilithium;2-methanidyl-2-methylpropan-1-olate?
dilithium;2-methanidyl-2-methylpropan-1-olate has a molecular weight of 100.02 g/mol, XLogP of -5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-methanidyl-2-methylpropan-1-olate is sourced from PubChem (CID 23693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).