lithium butan-2-olate

C4H9LiO — CID 23689932

IUPAClithium butan-2-olate
SMILESCCC(C)[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyXMAFBJJKWTWLJP-UHFFFAOYSA-N
MW80.06 g/mol
LogP-2.85
Rot. Bonds1

About lithium butan-2-olate

lithium butan-2-olate (PubChem CID 23689932) has the molecular formula C4H9LiO and a molecular weight of 80.06 g/mol. Its IUPAC name is lithium butan-2-olate.

Molecular Properties

Compound Namelithium butan-2-olate
PubChem CID23689932
Molecular FormulaC4H9LiO
Molecular Weight80.06 g/mol
Exact Mass80.08
IUPAC Namelithium butan-2-olate
SMILESCCC(C)[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyXMAFBJJKWTWLJP-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.06
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxypropane
CID 11721
2-Methoxybutane
CID 23238
Lithium propan-2-olate
CID 23673350
Sodium butan-2-olate
CID 23663649
Lithium 1-ethylpropoxide
CID 23664307
Potassium 1-methylpropoxide
CID 23694743
Lithium 1,2-dimethylpropoxide
CID 23694751
Ethyl-ethanol sulphide
CID 91502732
Lithiumdiisopropoxide
CID 129867241
Dimethylgallium isopropoxide
CID 129868720
Isopropyl methyl-d3-ether
CID 141478
Sec-butoxide
CID 3664836

Frequently Asked Questions

What is the IUPAC name of lithium butan-2-olate?
The IUPAC name of lithium butan-2-olate (CID 23689932) is lithium butan-2-olate.
What is the SMILES notation for lithium butan-2-olate?
The canonical SMILES for lithium butan-2-olate is CCC(C)[O-].[Li+].
What is the InChIKey of lithium butan-2-olate?
The InChIKey is XMAFBJJKWTWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Li/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of lithium butan-2-olate?
lithium butan-2-olate has a molecular weight of 80.06 g/mol, XLogP of -2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butan-2-olate is sourced from PubChem (CID 23689932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).