lithium 2,4-dimethylpentan-3-olate

C7H15LiO — CID 20660709

IUPAClithium 2,4-dimethylpentan-3-olate
SMILESCC(C)C([O-])C(C)C.[Li+]
InChIInChI=1S/C7H15O.Li/c1-5(2)7(8)6(3)4;/h5-7H,1-4H3;/q-1;+1
InChIKeyMPIRMFGIMCGONF-UHFFFAOYSA-N
MW122.14 g/mol
LogP-1.97
Rot. Bonds2

About lithium 2,4-dimethylpentan-3-olate

lithium 2,4-dimethylpentan-3-olate (PubChem CID 20660709) has the molecular formula C7H15LiO and a molecular weight of 122.14 g/mol. Its IUPAC name is lithium 2,4-dimethylpentan-3-olate.

Molecular Properties

Compound Namelithium 2,4-dimethylpentan-3-olate
PubChem CID20660709
Molecular FormulaC7H15LiO
Molecular Weight122.14 g/mol
Exact Mass122.13
IUPAC Namelithium 2,4-dimethylpentan-3-olate
SMILESCC(C)C([O-])C(C)C.[Li+]
InChIInChI=1S/C7H15O.Li/c1-5(2)7(8)6(3)4;/h5-7H,1-4H3;/q-1;+1
InChIKeyMPIRMFGIMCGONF-UHFFFAOYSA-N
XLogP-1.97
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lithium 1,2-dimethylpropoxide
CID 23694751
Lithium 4-methylpentan-2-olate
CID 23721639
4-Methylpentan-2-yl hypofluorite
CID 175909141
dilithium;(2R,3R)-3-methanidylbutan-2-olate
CID 23669572
3-Methoxy-2-methylpentane
CID 17820198
CID 18462333
CID 18462333
Lithium 3-methylpentan-2-olate
CID 20660696
3-Methylbutan-2-olate
CID 22496794
Lithium 2-methylpentan-3-olate
CID 23698378
Sodium 2,4-dimethylpentan-3-olate
CID 23710704
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 2,4-dimethylpentan-3-olate?
The IUPAC name of lithium 2,4-dimethylpentan-3-olate (CID 20660709) is lithium 2,4-dimethylpentan-3-olate.
What is the SMILES notation for lithium 2,4-dimethylpentan-3-olate?
The canonical SMILES for lithium 2,4-dimethylpentan-3-olate is CC(C)C([O-])C(C)C.[Li+].
What is the InChIKey of lithium 2,4-dimethylpentan-3-olate?
The InChIKey is MPIRMFGIMCGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.Li/c1-5(2)7(8)6(3)4;/h5-7H,1-4H3;/q-1;+1.
What are the key properties of lithium 2,4-dimethylpentan-3-olate?
lithium 2,4-dimethylpentan-3-olate has a molecular weight of 122.14 g/mol, XLogP of -1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,4-dimethylpentan-3-olate is sourced from PubChem (CID 20660709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).