lithium (E)-1-methoxyprop-1-en-1-olate

C4H7LiO2 — CID 23689204

IUPAClithium (E)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OC.[Li+]
InChIInChI=1S/C4H8O2.Li/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;
InChIKeyXUIXZLOHPJXRHR-BJILWQEISA-M
MW94.04 g/mol
LogP-3.14
Rot. Bonds1

About lithium (E)-1-methoxyprop-1-en-1-olate

lithium (E)-1-methoxyprop-1-en-1-olate (PubChem CID 23689204) has the molecular formula C4H7LiO2 and a molecular weight of 94.04 g/mol. Its IUPAC name is lithium (E)-1-methoxyprop-1-en-1-olate.

Molecular Properties

Compound Namelithium (E)-1-methoxyprop-1-en-1-olate
PubChem CID23689204
Molecular FormulaC4H7LiO2
Molecular Weight94.04 g/mol
Exact Mass94.06
IUPAC Namelithium (E)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OC.[Li+]
InChIInChI=1S/C4H8O2.Li/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;
InChIKeyXUIXZLOHPJXRHR-BJILWQEISA-M
XLogP-3.14
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.04
LogP ≤ 5-3.14
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 (E)-1-methoxyprop-1-en-1-olate?
The IUPAC name of lithium (E)-1-methoxyprop-1-en-1-olate (CID 23689204) is lithium (E)-1-methoxyprop-1-en-1-olate.
What is the SMILES notation for lithium (E)-1-methoxyprop-1-en-1-olate?
The canonical SMILES for lithium (E)-1-methoxyprop-1-en-1-olate is C/C=C(\[O-])OC.[Li+].
What is the InChIKey of lithium (E)-1-methoxyprop-1-en-1-olate?
The InChIKey is XUIXZLOHPJXRHR-BJILWQEISA-M. The full InChI is InChI=1S/C4H8O2.Li/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;.
What are the key properties of lithium (E)-1-methoxyprop-1-en-1-olate?
lithium (E)-1-methoxyprop-1-en-1-olate has a molecular weight of 94.04 g/mol, XLogP of -3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-1-methoxyprop-1-en-1-olate is sourced from PubChem (CID 23689204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).