lithium 4-methylpentan-2-olate

C6H13LiO — CID 23721639

IUPAClithium 4-methylpentan-2-olate
SMILESCC(C)CC(C)[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-5(2)4-6(3)7;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeyNLFJYSDPMNYNKB-UHFFFAOYSA-N
MW108.11 g/mol
LogP-2.21
Rot. Bonds2

About lithium 4-methylpentan-2-olate

lithium 4-methylpentan-2-olate (PubChem CID 23721639) has the molecular formula C6H13LiO and a molecular weight of 108.11 g/mol. Its IUPAC name is lithium 4-methylpentan-2-olate.

Molecular Properties

Compound Namelithium 4-methylpentan-2-olate
PubChem CID23721639
Molecular FormulaC6H13LiO
Molecular Weight108.11 g/mol
Exact Mass108.11
IUPAC Namelithium 4-methylpentan-2-olate
SMILESCC(C)CC(C)[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-5(2)4-6(3)7;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeyNLFJYSDPMNYNKB-UHFFFAOYSA-N
XLogP-2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-4-methylpentane
CID 17820196
Lithium 2,4-dimethylpentan-3-olate
CID 20660709
Lithium 1,2-dimethylpropoxide
CID 23694751
4-Methylpentan-2-yl hypofluorite
CID 175909141
Lithium 3-methylpentan-2-olate
CID 20660696
Lithium 1-cyclopropylethanolate
CID 20660704
CID 23440317
CID 23440317
Lithium 2-methylpentan-3-olate
CID 23698378
Sodium 2,4-dimethylpentan-3-olate
CID 23710704
5-Methylhexan-3-yl hypochlorite
CID 53965942
2-Methylpentan-3-yl hypochlorite
CID 54130846
2,4-Dimethylpentan-3-yl hypochlorite
CID 54214219

Frequently Asked Questions

What is the IUPAC name of lithium 4-methylpentan-2-olate?
The IUPAC name of lithium 4-methylpentan-2-olate (CID 23721639) is lithium 4-methylpentan-2-olate.
What is the SMILES notation for lithium 4-methylpentan-2-olate?
The canonical SMILES for lithium 4-methylpentan-2-olate is CC(C)CC(C)[O-].[Li+].
What is the InChIKey of lithium 4-methylpentan-2-olate?
The InChIKey is NLFJYSDPMNYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Li/c1-5(2)4-6(3)7;/h5-6H,4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 4-methylpentan-2-olate?
lithium 4-methylpentan-2-olate has a molecular weight of 108.11 g/mol, XLogP of -2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methylpentan-2-olate is sourced from PubChem (CID 23721639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).