dilithium;(2R,3R)-3-methanidylbutan-2-olate

C5H10Li2O — CID 23669572

IUPACdilithium;(2R,3R)-3-methanidylbutan-2-olate
SMILES[CH2-][C@H](C)[C@@H](C)[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-4(2)5(3)6;;/h4-5H,1H2,2-3H3;;/q-2;2*+1/t4-,5-;;/m1../s1
InChIKeyHQMVZEOPYXOOMH-ALUAXPQUSA-N
MW100.02 g/mol
LogP-5.79
Rot. Bonds1

About dilithium;(2R,3R)-3-methanidylbutan-2-olate

dilithium;(2R,3R)-3-methanidylbutan-2-olate (PubChem CID 23669572) has the molecular formula C5H10Li2O and a molecular weight of 100.02 g/mol. Its IUPAC name is dilithium;(2R,3R)-3-methanidylbutan-2-olate.

Molecular Properties

Compound Namedilithium;(2R,3R)-3-methanidylbutan-2-olate
PubChem CID23669572
Molecular FormulaC5H10Li2O
Molecular Weight100.02 g/mol
Exact Mass100.11
IUPAC Namedilithium;(2R,3R)-3-methanidylbutan-2-olate
SMILES[CH2-][C@H](C)[C@@H](C)[O-].[Li+].[Li+]
InChIInChI=1S/C5H10O.2Li/c1-4(2)5(3)6;;/h4-5H,1H2,2-3H3;;/q-2;2*+1/t4-,5-;;/m1../s1
InChIKeyHQMVZEOPYXOOMH-ALUAXPQUSA-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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Related Compounds

Butane, 2-methoxy-3-methyl-
CID 547676
1,2-Dimethylpropyl methyl ether
CID 59039402
2-Butanol, 3-methyl-, potassium salt (1:1)
CID 23689002
Lithium 2,4-dimethylpentan-3-olate
CID 20660709
Natrium-isopropylalkoholat
CID 23691797
Lithium 1,2-dimethylpropoxide
CID 23694751
3-Methylbutan-2-yl hypofluorite
CID 145852562
Dilithium;butan-2-olate
CID 23669569
CID 5490335
CID 5490335
3-Methylbutan-2-olate
CID 22496794
Lithium 2-methylpentan-3-olate
CID 23698378
Dilithium;2-methylpropane;propan-2-olate
CID 23719367

Frequently Asked Questions

What is the IUPAC name of dilithium;(2R,3R)-3-methanidylbutan-2-olate?
The IUPAC name of dilithium;(2R,3R)-3-methanidylbutan-2-olate (CID 23669572) is dilithium;(2R,3R)-3-methanidylbutan-2-olate.
What is the SMILES notation for dilithium;(2R,3R)-3-methanidylbutan-2-olate?
The canonical SMILES for dilithium;(2R,3R)-3-methanidylbutan-2-olate is [CH2-][C@H](C)[C@@H](C)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;(2R,3R)-3-methanidylbutan-2-olate?
The InChIKey is HQMVZEOPYXOOMH-ALUAXPQUSA-N. The full InChI is InChI=1S/C5H10O.2Li/c1-4(2)5(3)6;;/h4-5H,1H2,2-3H3;;/q-2;2*+1/t4-,5-;;/m1../s1.
What are the key properties of dilithium;(2R,3R)-3-methanidylbutan-2-olate?
dilithium;(2R,3R)-3-methanidylbutan-2-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;(2R,3R)-3-methanidylbutan-2-olate is sourced from PubChem (CID 23669572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).