lithium 4-methylpent-1-en-2-olate

C6H11LiO — CID 23665220

IUPAClithium 4-methylpent-1-en-2-olate
SMILESC=C([O-])CC(C)C.[Li+]
InChIInChI=1S/C6H12O.Li/c1-5(2)4-6(3)7;/h5,7H,3-4H2,1-2H3;/q;+1/p-1
InChIKeyOCAKPQOTEOZNIN-UHFFFAOYSA-M
MW106.09 g/mol
LogP-2.09
Rot. Bonds2

About lithium 4-methylpent-1-en-2-olate

lithium 4-methylpent-1-en-2-olate (PubChem CID 23665220) has the molecular formula C6H11LiO and a molecular weight of 106.09 g/mol. Its IUPAC name is lithium 4-methylpent-1-en-2-olate.

Molecular Properties

Compound Namelithium 4-methylpent-1-en-2-olate
PubChem CID23665220
Molecular FormulaC6H11LiO
Molecular Weight106.09 g/mol
Exact Mass106.10
IUPAC Namelithium 4-methylpent-1-en-2-olate
SMILESC=C([O-])CC(C)C.[Li+]
InChIInChI=1S/C6H12O.Li/c1-5(2)4-6(3)7;/h5,7H,3-4H2,1-2H3;/q;+1/p-1
InChIKeyOCAKPQOTEOZNIN-UHFFFAOYSA-M
XLogP-2.09
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4-methylpent-1-en-2-olate?
The IUPAC name of lithium 4-methylpent-1-en-2-olate (CID 23665220) is lithium 4-methylpent-1-en-2-olate.
What is the SMILES notation for lithium 4-methylpent-1-en-2-olate?
The canonical SMILES for lithium 4-methylpent-1-en-2-olate is C=C([O-])CC(C)C.[Li+].
What is the InChIKey of lithium 4-methylpent-1-en-2-olate?
The InChIKey is OCAKPQOTEOZNIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O.Li/c1-5(2)4-6(3)7;/h5,7H,3-4H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 4-methylpent-1-en-2-olate?
lithium 4-methylpent-1-en-2-olate has a molecular weight of 106.09 g/mol, XLogP of -2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methylpent-1-en-2-olate is sourced from PubChem (CID 23665220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).