lithium 4-chlorobut-1-ene

C4H6ClLi — CID 12957922

IUPAClithium 4-chlorobut-1-ene
SMILESC=[C-]CCCl.[Li+]
InChIInChI=1S/C4H6Cl.Li/c1-2-3-4-5;/h1,3-4H2;/q-1;+1
InChIKeyUAEOFXLLEWEIKM-UHFFFAOYSA-N
MW96.49 g/mol
LogP-1.39
Rot. Bonds2

About lithium 4-chlorobut-1-ene

lithium 4-chlorobut-1-ene (PubChem CID 12957922) has the molecular formula C4H6ClLi and a molecular weight of 96.49 g/mol. Its IUPAC name is lithium 4-chlorobut-1-ene.

Molecular Properties

Compound Namelithium 4-chlorobut-1-ene
PubChem CID12957922
Molecular FormulaC4H6ClLi
Molecular Weight96.49 g/mol
Exact Mass96.03
IUPAC Namelithium 4-chlorobut-1-ene
SMILESC=[C-]CCCl.[Li+]
InChIInChI=1S/C4H6Cl.Li/c1-2-3-4-5;/h1,3-4H2;/q-1;+1
InChIKeyUAEOFXLLEWEIKM-UHFFFAOYSA-N
XLogP-1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.49
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 4-chlorobut-1-ene?
The IUPAC name of lithium 4-chlorobut-1-ene (CID 12957922) is lithium 4-chlorobut-1-ene.
What is the SMILES notation for lithium 4-chlorobut-1-ene?
The canonical SMILES for lithium 4-chlorobut-1-ene is C=[C-]CCCl.[Li+].
What is the InChIKey of lithium 4-chlorobut-1-ene?
The InChIKey is UAEOFXLLEWEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl.Li/c1-2-3-4-5;/h1,3-4H2;/q-1;+1.
What are the key properties of lithium 4-chlorobut-1-ene?
lithium 4-chlorobut-1-ene has a molecular weight of 96.49 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-chlorobut-1-ene is sourced from PubChem (CID 12957922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).