lithium 2-methylpropan-1-olate

C4H9LiO — CID 23695069

IUPAClithium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyWBIUOUBFNXEKBA-UHFFFAOYSA-N
MW80.06 g/mol
LogP-2.99
Rot. Bonds1

About lithium 2-methylpropan-1-olate

lithium 2-methylpropan-1-olate (PubChem CID 23695069) has the molecular formula C4H9LiO and a molecular weight of 80.06 g/mol. Its IUPAC name is lithium 2-methylpropan-1-olate.

Molecular Properties

Compound Namelithium 2-methylpropan-1-olate
PubChem CID23695069
Molecular FormulaC4H9LiO
Molecular Weight80.06 g/mol
Exact Mass80.08
IUPAC Namelithium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyWBIUOUBFNXEKBA-UHFFFAOYSA-N
XLogP-2.99
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 ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, isobutyl methyl
CID 12250
1-Propanol, 2-methyl-, potassium salt (1:1)
CID 23673033
Sodium isobutoxide
CID 23673704
Lithium iso pentoxide
CID 23708034
2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
Lithium 1,2-dimethylpropoxide
CID 23694751
2-Methylpropyl hypofluorite
CID 19001109
CID 16170461
CID 16170461
2-Methylpropyl hypochlorite
CID 20377285
Lithium 2,2-dimethylpropan-1-olate
CID 23661849
Lithium 2-methylbutan-1-olate
CID 23689933

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpropan-1-olate?
The IUPAC name of lithium 2-methylpropan-1-olate (CID 23695069) is lithium 2-methylpropan-1-olate.
What is the SMILES notation for lithium 2-methylpropan-1-olate?
The canonical SMILES for lithium 2-methylpropan-1-olate is CC(C)C[O-].[Li+].
What is the InChIKey of lithium 2-methylpropan-1-olate?
The InChIKey is WBIUOUBFNXEKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Li/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of lithium 2-methylpropan-1-olate?
lithium 2-methylpropan-1-olate has a molecular weight of 80.06 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpropan-1-olate is sourced from PubChem (CID 23695069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).