lithium (E)-4-methylpent-2-en-3-olate

C6H11LiO — CID 23705030

IUPAClithium (E)-4-methylpent-2-en-3-olate
SMILESC/C=C(/[O-])C(C)C.[Li+]
InChIInChI=1S/C6H12O.Li/c1-4-6(7)5(2)3;/h4-5,7H,1-3H3;/q;+1/p-1/b6-4+;
InChIKeyRNTQXRYXYRJDDG-CVDVRWGVSA-M
MW106.09 g/mol
LogP-2.09
Rot. Bonds1

About lithium (E)-4-methylpent-2-en-3-olate

lithium (E)-4-methylpent-2-en-3-olate (PubChem CID 23705030) has the molecular formula C6H11LiO and a molecular weight of 106.09 g/mol. Its IUPAC name is lithium (E)-4-methylpent-2-en-3-olate.

Molecular Properties

Compound Namelithium (E)-4-methylpent-2-en-3-olate
PubChem CID23705030
Molecular FormulaC6H11LiO
Molecular Weight106.09 g/mol
Exact Mass106.10
IUPAC Namelithium (E)-4-methylpent-2-en-3-olate
SMILESC/C=C(/[O-])C(C)C.[Li+]
InChIInChI=1S/C6H12O.Li/c1-4-6(7)5(2)3;/h4-5,7H,1-3H3;/q;+1/p-1/b6-4+;
InChIKeyRNTQXRYXYRJDDG-CVDVRWGVSA-M
XLogP-2.09
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-methylpent-2-en-3-olate?
The IUPAC name of lithium (E)-4-methylpent-2-en-3-olate (CID 23705030) is lithium (E)-4-methylpent-2-en-3-olate.
What is the SMILES notation for lithium (E)-4-methylpent-2-en-3-olate?
The canonical SMILES for lithium (E)-4-methylpent-2-en-3-olate is C/C=C(/[O-])C(C)C.[Li+].
What is the InChIKey of lithium (E)-4-methylpent-2-en-3-olate?
The InChIKey is RNTQXRYXYRJDDG-CVDVRWGVSA-M. The full InChI is InChI=1S/C6H12O.Li/c1-4-6(7)5(2)3;/h4-5,7H,1-3H3;/q;+1/p-1/b6-4+;.
What are the key properties of lithium (E)-4-methylpent-2-en-3-olate?
lithium (E)-4-methylpent-2-en-3-olate has a molecular weight of 106.09 g/mol, XLogP of -2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-4-methylpent-2-en-3-olate is sourced from PubChem (CID 23705030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).