lithium (Z)-1-ethoxybut-1-en-1-olate

C6H11LiO2 — CID 23677906

IUPAClithium (Z)-1-ethoxybut-1-en-1-olate
SMILESCC/C=C(/[O-])OCC.[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-5-6(7)8-4-2;/h5,7H,3-4H2,1-2H3;/q;+1/p-1/b6-5-;
InChIKeyBFNSMOINNMEVSY-YSMBQZINSA-M
MW122.09 g/mol
LogP-2.36
Rot. Bonds3

About lithium (Z)-1-ethoxybut-1-en-1-olate

lithium (Z)-1-ethoxybut-1-en-1-olate (PubChem CID 23677906) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium (Z)-1-ethoxybut-1-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-1-ethoxybut-1-en-1-olate
PubChem CID23677906
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium (Z)-1-ethoxybut-1-en-1-olate
SMILESCC/C=C(/[O-])OCC.[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-5-6(7)8-4-2;/h5,7H,3-4H2,1-2H3;/q;+1/p-1/b6-5-;
InChIKeyBFNSMOINNMEVSY-YSMBQZINSA-M
XLogP-2.36
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-2.36
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 (Z)-1-ethoxybut-1-en-1-olate?
The IUPAC name of lithium (Z)-1-ethoxybut-1-en-1-olate (CID 23677906) is lithium (Z)-1-ethoxybut-1-en-1-olate.
What is the SMILES notation for lithium (Z)-1-ethoxybut-1-en-1-olate?
The canonical SMILES for lithium (Z)-1-ethoxybut-1-en-1-olate is CC/C=C(/[O-])OCC.[Li+].
What is the InChIKey of lithium (Z)-1-ethoxybut-1-en-1-olate?
The InChIKey is BFNSMOINNMEVSY-YSMBQZINSA-M. The full InChI is InChI=1S/C6H12O2.Li/c1-3-5-6(7)8-4-2;/h5,7H,3-4H2,1-2H3;/q;+1/p-1/b6-5-;.
What are the key properties of lithium (Z)-1-ethoxybut-1-en-1-olate?
lithium (Z)-1-ethoxybut-1-en-1-olate has a molecular weight of 122.09 g/mol, XLogP of -2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-1-ethoxybut-1-en-1-olate is sourced from PubChem (CID 23677906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).