dilithium;2-methylpropane;propan-2-olate

C7H16Li2O — CID 23719367

IUPACdilithium;2-methylpropane;propan-2-olate
SMILESCC(C)[O-].C[C-](C)C.[Li+].[Li+]
InChIInChI=1S/C4H9.C3H7O.2Li/c1-4(2)3;1-3(2)4;;/h1-3H3;3H,1-2H3;;/q2*-1;2*+1
InChIKeyCOMCBRIILKSDPA-UHFFFAOYSA-N
MW130.09 g/mol
LogP-4.62
Rot. Bonds

About dilithium;2-methylpropane;propan-2-olate

dilithium;2-methylpropane;propan-2-olate (PubChem CID 23719367) has the molecular formula C7H16Li2O and a molecular weight of 130.09 g/mol. Its IUPAC name is dilithium;2-methylpropane;propan-2-olate.

Molecular Properties

Compound Namedilithium;2-methylpropane;propan-2-olate
PubChem CID23719367
Molecular FormulaC7H16Li2O
Molecular Weight130.09 g/mol
Exact Mass130.15
IUPAC Namedilithium;2-methylpropane;propan-2-olate
SMILESCC(C)[O-].C[C-](C)C.[Li+].[Li+]
InChIInChI=1S/C4H9.C3H7O.2Li/c1-4(2)3;1-3(2)4;;/h1-3H3;3H,1-2H3;;/q2*-1;2*+1
InChIKeyCOMCBRIILKSDPA-UHFFFAOYSA-N
XLogP-4.62
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-4.62
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

Lithium sec-butoxide
CID 23689932
Lithiumdiisopropoxide
CID 129867241
Dilithium;butan-2-olate
CID 23669569
dilithium;(2R,3R)-3-methanidylbutan-2-olate
CID 23669572
lithium (2R)-butan-2-olate
CID 25021851
lithium (2S)-butan-2-olate
CID 57588994
CID 145738532
CID 145738532
Trilithium;tris(butan-2-olate)
CID 162372928
Dilithium;hydride;2-methylpropane;propan-2-ol
CID 173313129
Trilithium;tris(propan-2-olate)
CID 174418814
Dilithium;ethanolate;propan-2-olate
CID 175696878
Dilithium bis(butan-2-olate)
CID 176134495

Frequently Asked Questions

What is the IUPAC name of dilithium;2-methylpropane;propan-2-olate?
The IUPAC name of dilithium;2-methylpropane;propan-2-olate (CID 23719367) is dilithium;2-methylpropane;propan-2-olate.
What is the SMILES notation for dilithium;2-methylpropane;propan-2-olate?
The canonical SMILES for dilithium;2-methylpropane;propan-2-olate is CC(C)[O-].C[C-](C)C.[Li+].[Li+].
What is the InChIKey of dilithium;2-methylpropane;propan-2-olate?
The InChIKey is COMCBRIILKSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H7O.2Li/c1-4(2)3;1-3(2)4;;/h1-3H3;3H,1-2H3;;/q2*-1;2*+1.
What are the key properties of dilithium;2-methylpropane;propan-2-olate?
dilithium;2-methylpropane;propan-2-olate has a molecular weight of 130.09 g/mol, XLogP of -4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-methylpropane;propan-2-olate is sourced from PubChem (CID 23719367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).