lithium 2-methanidyloxy-2-methylpropane

C5H11LiO — CID 13047164

IUPAClithium 2-methanidyloxy-2-methylpropane
SMILES[CH2-]OC(C)(C)C.[Li+]
InChIInChI=1S/C5H11O.Li/c1-5(2,3)6-4;/h4H2,1-3H3;/q-1;+1
InChIKeyHIZMSKAWFIZQKV-UHFFFAOYSA-N
MW94.08 g/mol
LogP-1.40
Rot. Bonds

About lithium 2-methanidyloxy-2-methylpropane

lithium 2-methanidyloxy-2-methylpropane (PubChem CID 13047164) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium 2-methanidyloxy-2-methylpropane.

Molecular Properties

Compound Namelithium 2-methanidyloxy-2-methylpropane
PubChem CID13047164
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium 2-methanidyloxy-2-methylpropane
SMILES[CH2-]OC(C)(C)C.[Li+]
InChIInChI=1S/C5H11O.Li/c1-5(2,3)6-4;/h4H2,1-3H3;/q-1;+1
InChIKeyHIZMSKAWFIZQKV-UHFFFAOYSA-N
XLogP-1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methanidyloxy-2-methylpropane?
The IUPAC name of lithium 2-methanidyloxy-2-methylpropane (CID 13047164) is lithium 2-methanidyloxy-2-methylpropane.
What is the SMILES notation for lithium 2-methanidyloxy-2-methylpropane?
The canonical SMILES for lithium 2-methanidyloxy-2-methylpropane is [CH2-]OC(C)(C)C.[Li+].
What is the InChIKey of lithium 2-methanidyloxy-2-methylpropane?
The InChIKey is HIZMSKAWFIZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-5(2,3)6-4;/h4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2-methanidyloxy-2-methylpropane?
lithium 2-methanidyloxy-2-methylpropane has a molecular weight of 94.08 g/mol, XLogP of -1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidyloxy-2-methylpropane is sourced from PubChem (CID 13047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).