lithium 2-methyl-2-prop-2-enoxypropane

C7H13LiO — CID 10986203

IUPAClithium 2-methyl-2-prop-2-enoxypropane
SMILES[H]/[C-]=C\COC(C)(C)C.[Li+]
InChIInChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h1,5H,6H2,2-4H3;/q-1;+1
InChIKeyIMPXVOKWEMGTTG-UHFFFAOYSA-N
MW120.12 g/mol
LogP-1.21
Rot. Bonds2

About lithium 2-methyl-2-prop-2-enoxypropane

lithium 2-methyl-2-prop-2-enoxypropane (PubChem CID 10986203) has the molecular formula C7H13LiO and a molecular weight of 120.12 g/mol. Its IUPAC name is lithium 2-methyl-2-prop-2-enoxypropane.

Molecular Properties

Compound Namelithium 2-methyl-2-prop-2-enoxypropane
PubChem CID10986203
Molecular FormulaC7H13LiO
Molecular Weight120.12 g/mol
Exact Mass120.11
IUPAC Namelithium 2-methyl-2-prop-2-enoxypropane
SMILES[H]/[C-]=C\COC(C)(C)C.[Li+]
InChIInChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h1,5H,6H2,2-4H3;/q-1;+1
InChIKeyIMPXVOKWEMGTTG-UHFFFAOYSA-N
XLogP-1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-1.21
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-methyl-2-prop-2-enoxypropane?
The IUPAC name of lithium 2-methyl-2-prop-2-enoxypropane (CID 10986203) is lithium 2-methyl-2-prop-2-enoxypropane.
What is the SMILES notation for lithium 2-methyl-2-prop-2-enoxypropane?
The canonical SMILES for lithium 2-methyl-2-prop-2-enoxypropane is [H]/[C-]=C\COC(C)(C)C.[Li+].
What is the InChIKey of lithium 2-methyl-2-prop-2-enoxypropane?
The InChIKey is IMPXVOKWEMGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h1,5H,6H2,2-4H3;/q-1;+1.
What are the key properties of lithium 2-methyl-2-prop-2-enoxypropane?
lithium 2-methyl-2-prop-2-enoxypropane has a molecular weight of 120.12 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methyl-2-prop-2-enoxypropane is sourced from PubChem (CID 10986203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).