lithium 2-methanidylpropan-2-yl acetate

C6H11LiO2 — CID 18448727

IUPAClithium 2-methanidylpropan-2-yl acetate
SMILES[CH2-]C(C)(C)OC(C)=O.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-5(7)8-6(2,3)4;/h2H2,1,3-4H3;/q-1;+1
InChIKeyYOGYUYWVFKDCAJ-UHFFFAOYSA-N
MW122.09 g/mol
LogP-1.83
Rot. Bonds1

About lithium 2-methanidylpropan-2-yl acetate

lithium 2-methanidylpropan-2-yl acetate (PubChem CID 18448727) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 2-methanidylpropan-2-yl acetate.

Molecular Properties

Compound Namelithium 2-methanidylpropan-2-yl acetate
PubChem CID18448727
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 2-methanidylpropan-2-yl acetate
SMILES[CH2-]C(C)(C)OC(C)=O.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-5(7)8-6(2,3)4;/h2H2,1,3-4H3;/q-1;+1
InChIKeyYOGYUYWVFKDCAJ-UHFFFAOYSA-N
XLogP-1.83
TPSA26.30 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 ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methanidylpropan-2-yl acetate?
The IUPAC name of lithium 2-methanidylpropan-2-yl acetate (CID 18448727) is lithium 2-methanidylpropan-2-yl acetate.
What is the SMILES notation for lithium 2-methanidylpropan-2-yl acetate?
The canonical SMILES for lithium 2-methanidylpropan-2-yl acetate is [CH2-]C(C)(C)OC(C)=O.[Li+].
What is the InChIKey of lithium 2-methanidylpropan-2-yl acetate?
The InChIKey is YOGYUYWVFKDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.Li/c1-5(7)8-6(2,3)4;/h2H2,1,3-4H3;/q-1;+1.
What are the key properties of lithium 2-methanidylpropan-2-yl acetate?
lithium 2-methanidylpropan-2-yl acetate has a molecular weight of 122.09 g/mol, XLogP of -1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidylpropan-2-yl acetate is sourced from PubChem (CID 18448727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).