lithium 1-chloro-2-ethoxyethene

C4H6ClLiO — CID 20574904

IUPAClithium 1-chloro-2-ethoxyethene
SMILESCCO/C=[C-]\Cl.[Li+]
InChIInChI=1S/C4H6ClO.Li/c1-2-6-4-3-5;/h4H,2H2,1H3;/q-1;+1
InChIKeyHUFVOGMVPYGCBO-UHFFFAOYSA-N
MW112.48 g/mol
LogP-1.46
Rot. Bonds2

About lithium 1-chloro-2-ethoxyethene

lithium 1-chloro-2-ethoxyethene (PubChem CID 20574904) has the molecular formula C4H6ClLiO and a molecular weight of 112.48 g/mol. Its IUPAC name is lithium 1-chloro-2-ethoxyethene.

Molecular Properties

Compound Namelithium 1-chloro-2-ethoxyethene
PubChem CID20574904
Molecular FormulaC4H6ClLiO
Molecular Weight112.48 g/mol
Exact Mass112.03
IUPAC Namelithium 1-chloro-2-ethoxyethene
SMILESCCO/C=[C-]\Cl.[Li+]
InChIInChI=1S/C4H6ClO.Li/c1-2-6-4-3-5;/h4H,2H2,1H3;/q-1;+1
InChIKeyHUFVOGMVPYGCBO-UHFFFAOYSA-N
XLogP-1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.48
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 1-chloro-2-ethoxyethene?
The IUPAC name of lithium 1-chloro-2-ethoxyethene (CID 20574904) is lithium 1-chloro-2-ethoxyethene.
What is the SMILES notation for lithium 1-chloro-2-ethoxyethene?
The canonical SMILES for lithium 1-chloro-2-ethoxyethene is CCO/C=[C-]\Cl.[Li+].
What is the InChIKey of lithium 1-chloro-2-ethoxyethene?
The InChIKey is HUFVOGMVPYGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClO.Li/c1-2-6-4-3-5;/h4H,2H2,1H3;/q-1;+1.
What are the key properties of lithium 1-chloro-2-ethoxyethene?
lithium 1-chloro-2-ethoxyethene has a molecular weight of 112.48 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-chloro-2-ethoxyethene is sourced from PubChem (CID 20574904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).