lithium pentan-3-olate

C5H11LiO — CID 23664307

IUPAClithium pentan-3-olate
SMILESCCC([O-])CC.[Li+]
InChIInChI=1S/C5H11O.Li/c1-3-5(6)4-2;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyQUWQSDQGLMKWGY-UHFFFAOYSA-N
MW94.08 g/mol
LogP-2.46
Rot. Bonds2

About lithium pentan-3-olate

lithium pentan-3-olate (PubChem CID 23664307) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium pentan-3-olate.

Molecular Properties

Compound Namelithium pentan-3-olate
PubChem CID23664307
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium pentan-3-olate
SMILESCCC([O-])CC.[Li+]
InChIInChI=1S/C5H11O.Li/c1-3-5(6)4-2;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyQUWQSDQGLMKWGY-UHFFFAOYSA-N
XLogP-2.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxypentane
CID 522287
3-Methoxypentane
CID 37545
CID 19889919
CID 19889919
Sodium 3-pentoxide
CID 23676382
Lithium s-butoxide
CID 23689932
Lithiumdiisopropoxide
CID 129867241
Sec-butoxide
CID 3664836
Sodium pentan-2-olate
CID 18916455
Pentan-2-yl hypofluorite
CID 59645033
Pentan-3-yl hypofluorite
CID 87770463
(2S)-2-methoxypentane
CID 59619140
Dilithium;butan-2-olate
CID 23669569

Frequently Asked Questions

What is the IUPAC name of lithium pentan-3-olate?
The IUPAC name of lithium pentan-3-olate (CID 23664307) is lithium pentan-3-olate.
What is the SMILES notation for lithium pentan-3-olate?
The canonical SMILES for lithium pentan-3-olate is CCC([O-])CC.[Li+].
What is the InChIKey of lithium pentan-3-olate?
The InChIKey is QUWQSDQGLMKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-3-5(6)4-2;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium pentan-3-olate?
lithium pentan-3-olate has a molecular weight of 94.08 g/mol, XLogP of -2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pentan-3-olate is sourced from PubChem (CID 23664307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).