lithium pentan-1-olate

C5H11LiO — CID 18462829

IUPAClithium pentan-1-olate
SMILESCCCCC[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyVVKLZHZYBZPWIN-UHFFFAOYSA-N
MW94.08 g/mol
LogP-2.46
Rot. Bonds3

About lithium pentan-1-olate

lithium pentan-1-olate (PubChem CID 18462829) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium pentan-1-olate.

Molecular Properties

Compound Namelithium pentan-1-olate
PubChem CID18462829
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium pentan-1-olate
SMILESCCCCC[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyVVKLZHZYBZPWIN-UHFFFAOYSA-N
XLogP-2.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ether, methyl pentyl
CID 69412
Sodium pentylate
CID 23675634
Lithium butan-1-olate
CID 23676864
Amylhypochlorit
CID 13752034
Lithium 1-hexanolate
CID 23678648
Potassium pentan-1-olate
CID 23689650
Wasserstoff Jodpentoxyd
CID 87377757
Chloro(pentyloxy)magnesium
CID 113484
Pentyl hypofluorite
CID 18672972
Magnesium;pentan-1-olate;chloride
CID 57357122
Hexan-1-olate
CID 22606972
CID 165416356
CID 165416356

Frequently Asked Questions

What is the IUPAC name of lithium pentan-1-olate?
The IUPAC name of lithium pentan-1-olate (CID 18462829) is lithium pentan-1-olate.
What is the SMILES notation for lithium pentan-1-olate?
The canonical SMILES for lithium pentan-1-olate is CCCCC[O-].[Li+].
What is the InChIKey of lithium pentan-1-olate?
The InChIKey is VVKLZHZYBZPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1.
What are the key properties of lithium pentan-1-olate?
lithium pentan-1-olate has a molecular weight of 94.08 g/mol, XLogP of -2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pentan-1-olate is sourced from PubChem (CID 18462829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).