lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate

C6H11LiO2 — CID 10464342

IUPAClithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
SMILESC=C([O-])OC(C)(C)C.[Li+]
InChIInChI=1S/C6H12O2.Li/c1-5(7)8-6(2,3)4;/h7H,1H2,2-4H3;/q;+1/p-1
InChIKeyWZUQGEQPLODMLL-UHFFFAOYSA-M
MW122.09 g/mol
LogP-2.36
Rot. Bonds1

About lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate

lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate (PubChem CID 10464342) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate.

Molecular Properties

Compound Namelithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
PubChem CID10464342
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
SMILESC=C([O-])OC(C)(C)C.[Li+]
InChIInChI=1S/C6H12O2.Li/c1-5(7)8-6(2,3)4;/h7H,1H2,2-4H3;/q;+1/p-1
InChIKeyWZUQGEQPLODMLL-UHFFFAOYSA-M
XLogP-2.36
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

CID 157053452
CID 157053452
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
CID 89011390
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
CID 75527807
2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 143586756
2-methyl-2-(1-prop-1-en-2-yloxyethenoxy)propane
CID 122522282
CID 123951784
CID 123951784
(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 177444306
lithium N-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101354915
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
CID 131969237
(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
CID 142052910
tert-butyl prop-2-enoate;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 86609323
2-prop-1-en-2-yloxypropan-2-olate
CID 20696270

Frequently Asked Questions

What is the IUPAC name of lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate?
The IUPAC name of lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate (CID 10464342) is lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate.
What is the SMILES notation for lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate?
The canonical SMILES for lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate is C=C([O-])OC(C)(C)C.[Li+].
What is the InChIKey of lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate?
The InChIKey is WZUQGEQPLODMLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O2.Li/c1-5(7)8-6(2,3)4;/h7H,1H2,2-4H3;/q;+1/p-1.
What are the key properties of lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate?
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate has a molecular weight of 122.09 g/mol, XLogP of -2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate is sourced from PubChem (CID 10464342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).