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

C7H13LiO — CID 134906405

IUPAClithium 2-methyl-2-prop-2-enoxypropane
SMILESC=C[CH-]OC(C)(C)C.[Li+]
InChIInChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h5-6H,1H2,2-4H3;/q-1;+1
InChIKeyXHZIALNFBAWOOF-UHFFFAOYSA-N
MW120.12 g/mol
LogP-0.85
Rot. Bonds2

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

lithium 2-methyl-2-prop-2-enoxypropane (PubChem CID 134906405) 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 CID134906405
Molecular FormulaC7H13LiO
Molecular Weight120.12 g/mol
Exact Mass120.11
IUPAC Namelithium 2-methyl-2-prop-2-enoxypropane
SMILESC=C[CH-]OC(C)(C)C.[Li+]
InChIInChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h5-6H,1H2,2-4H3;/q-1;+1
InChIKeyXHZIALNFBAWOOF-UHFFFAOYSA-N
XLogP-0.85
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 ≤ 5-0.85
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 134906405) 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 C=C[CH-]OC(C)(C)C.[Li+].
What is the InChIKey of lithium 2-methyl-2-prop-2-enoxypropane?
The InChIKey is XHZIALNFBAWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.Li/c1-5-6-8-7(2,3)4;/h5-6H,1H2,2-4H3;/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 -0.85, 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 134906405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).