lithium 3-methylbutan-2-olate

C5H11LiO — CID 23694751

IUPAClithium 3-methylbutan-2-olate
SMILESCC(C)C(C)[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
InChIKeyYOQFQUPAHGALDU-UHFFFAOYSA-N
MW94.08 g/mol
LogP-2.60
Rot. Bonds1

About lithium 3-methylbutan-2-olate

lithium 3-methylbutan-2-olate (PubChem CID 23694751) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium 3-methylbutan-2-olate.

Molecular Properties

Compound Namelithium 3-methylbutan-2-olate
PubChem CID23694751
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium 3-methylbutan-2-olate
SMILESCC(C)C(C)[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
InChIKeyYOQFQUPAHGALDU-UHFFFAOYSA-N
XLogP-2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 3-methylbutan-2-olate?
The IUPAC name of lithium 3-methylbutan-2-olate (CID 23694751) is lithium 3-methylbutan-2-olate.
What is the SMILES notation for lithium 3-methylbutan-2-olate?
The canonical SMILES for lithium 3-methylbutan-2-olate is CC(C)C(C)[O-].[Li+].
What is the InChIKey of lithium 3-methylbutan-2-olate?
The InChIKey is YOQFQUPAHGALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of lithium 3-methylbutan-2-olate?
lithium 3-methylbutan-2-olate has a molecular weight of 94.08 g/mol, XLogP of -2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methylbutan-2-olate is sourced from PubChem (CID 23694751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).