lithium pent-4-en-1-olate

C5H9LiO — CID 23663197

IUPAClithium pent-4-en-1-olate
SMILESC=CCCC[O-].[Li+]
InChIInChI=1S/C5H9O.Li/c1-2-3-4-5-6;/h2H,1,3-5H2;/q-1;+1
InChIKeyYDQLKBLHZZBBII-UHFFFAOYSA-N
MW92.07 g/mol
LogP-2.68
Rot. Bonds3

About lithium pent-4-en-1-olate

lithium pent-4-en-1-olate (PubChem CID 23663197) has the molecular formula C5H9LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium pent-4-en-1-olate.

Molecular Properties

Compound Namelithium pent-4-en-1-olate
PubChem CID23663197
Molecular FormulaC5H9LiO
Molecular Weight92.07 g/mol
Exact Mass92.08
IUPAC Namelithium pent-4-en-1-olate
SMILESC=CCCC[O-].[Li+]
InChIInChI=1S/C5H9O.Li/c1-2-3-4-5-6;/h2H,1,3-5H2;/q-1;+1
InChIKeyYDQLKBLHZZBBII-UHFFFAOYSA-N
XLogP-2.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium pent-4-en-1-olate?
The IUPAC name of lithium pent-4-en-1-olate (CID 23663197) is lithium pent-4-en-1-olate.
What is the SMILES notation for lithium pent-4-en-1-olate?
The canonical SMILES for lithium pent-4-en-1-olate is C=CCCC[O-].[Li+].
What is the InChIKey of lithium pent-4-en-1-olate?
The InChIKey is YDQLKBLHZZBBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Li/c1-2-3-4-5-6;/h2H,1,3-5H2;/q-1;+1.
What are the key properties of lithium pent-4-en-1-olate?
lithium pent-4-en-1-olate has a molecular weight of 92.07 g/mol, XLogP of -2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pent-4-en-1-olate is sourced from PubChem (CID 23663197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).