lithium hexan-2-olate

C6H13LiO — CID 141423009

IUPAClithium hexan-2-olate
SMILESCCCCC(C)[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-3-4-5-6(2)7;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyRIGHKVCYZNOYDR-UHFFFAOYSA-N
MW108.11 g/mol
LogP-2.07
Rot. Bonds3

About lithium hexan-2-olate

lithium hexan-2-olate (PubChem CID 141423009) has the molecular formula C6H13LiO and a molecular weight of 108.11 g/mol. Its IUPAC name is lithium hexan-2-olate.

Molecular Properties

Compound Namelithium hexan-2-olate
PubChem CID141423009
Molecular FormulaC6H13LiO
Molecular Weight108.11 g/mol
Exact Mass108.11
IUPAC Namelithium hexan-2-olate
SMILESCCCCC(C)[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-3-4-5-6(2)7;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyRIGHKVCYZNOYDR-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium hexan-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium heptan-2-olate
CID 165147938
sodium nonan-2-olate
CID 23695654
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
aluminum;hexane;tris(propan-2-olate)
CID 173368889
tributyl(methyl)phosphanium
CID 2760115
magnesium;2-methylheptan-3-olate;chloride
CID 101233001
potassium heptan-3-olate
CID 140992163
trilithium;tris(butan-2-olate)
CID 162372928
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodide
CID 2760114
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of lithium hexan-2-olate?
The IUPAC name of lithium hexan-2-olate (CID 141423009) is lithium hexan-2-olate.
What is the SMILES notation for lithium hexan-2-olate?
The canonical SMILES for lithium hexan-2-olate is CCCCC(C)[O-].[Li+].
What is the InChIKey of lithium hexan-2-olate?
The InChIKey is RIGHKVCYZNOYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Li/c1-3-4-5-6(2)7;/h6H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of lithium hexan-2-olate?
lithium hexan-2-olate has a molecular weight of 108.11 g/mol, XLogP of -2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hexan-2-olate is sourced from PubChem (CID 141423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).