lithium 1-ethoxyprop-1-en-1-olate

C5H9LiO2 — CID 59914805

IUPAClithium 1-ethoxyprop-1-en-1-olate
SMILESCC=C([O-])OCC.[Li+]
InChIInChI=1S/C5H10O2.Li/c1-3-5(6)7-4-2;/h3,6H,4H2,1-2H3;/q;+1/p-1
InChIKeyWSALOMLRCPXVKH-UHFFFAOYSA-M
MW108.07 g/mol
LogP-2.75
Rot. Bonds2

About lithium 1-ethoxyprop-1-en-1-olate

lithium 1-ethoxyprop-1-en-1-olate (PubChem CID 59914805) has the molecular formula C5H9LiO2 and a molecular weight of 108.07 g/mol. Its IUPAC name is lithium 1-ethoxyprop-1-en-1-olate.

Molecular Properties

Compound Namelithium 1-ethoxyprop-1-en-1-olate
PubChem CID59914805
Molecular FormulaC5H9LiO2
Molecular Weight108.07 g/mol
Exact Mass108.08
IUPAC Namelithium 1-ethoxyprop-1-en-1-olate
SMILESCC=C([O-])OCC.[Li+]
InChIInChI=1S/C5H10O2.Li/c1-3-5(6)7-4-2;/h3,6H,4H2,1-2H3;/q;+1/p-1
InChIKeyWSALOMLRCPXVKH-UHFFFAOYSA-M
XLogP-2.75
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 1-ethoxyprop-1-en-1-olate?
The IUPAC name of lithium 1-ethoxyprop-1-en-1-olate (CID 59914805) is lithium 1-ethoxyprop-1-en-1-olate.
What is the SMILES notation for lithium 1-ethoxyprop-1-en-1-olate?
The canonical SMILES for lithium 1-ethoxyprop-1-en-1-olate is CC=C([O-])OCC.[Li+].
What is the InChIKey of lithium 1-ethoxyprop-1-en-1-olate?
The InChIKey is WSALOMLRCPXVKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2.Li/c1-3-5(6)7-4-2;/h3,6H,4H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 1-ethoxyprop-1-en-1-olate?
lithium 1-ethoxyprop-1-en-1-olate has a molecular weight of 108.07 g/mol, XLogP of -2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethoxyprop-1-en-1-olate is sourced from PubChem (CID 59914805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).