lithium 2-ethyl-2-methyl-1,3-dioxolane

C6H11LiO2 — CID 135050321

IUPAClithium 2-ethyl-2-methyl-1,3-dioxolane
SMILES[CH2-]CC1(C)OCCO1.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-3-6(2)7-4-5-8-6;/h1,3-5H2,2H3;/q-1;+1
InChIKeyWMQGCXADSTXSFB-UHFFFAOYSA-N
MW122.09 g/mol
LogP-2.02
Rot. Bonds1

About lithium 2-ethyl-2-methyl-1,3-dioxolane

lithium 2-ethyl-2-methyl-1,3-dioxolane (PubChem CID 135050321) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 2-ethyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Namelithium 2-ethyl-2-methyl-1,3-dioxolane
PubChem CID135050321
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 2-ethyl-2-methyl-1,3-dioxolane
SMILES[CH2-]CC1(C)OCCO1.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-3-6(2)7-4-5-8-6;/h1,3-5H2,2H3;/q-1;+1
InChIKeyWMQGCXADSTXSFB-UHFFFAOYSA-N
XLogP-2.02
TPSA18.46 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 ≤ 5-2.02
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-ethyl-2-methyl-1,3-dioxolane?
The IUPAC name of lithium 2-ethyl-2-methyl-1,3-dioxolane (CID 135050321) is lithium 2-ethyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for lithium 2-ethyl-2-methyl-1,3-dioxolane?
The canonical SMILES for lithium 2-ethyl-2-methyl-1,3-dioxolane is [CH2-]CC1(C)OCCO1.[Li+].
What is the InChIKey of lithium 2-ethyl-2-methyl-1,3-dioxolane?
The InChIKey is WMQGCXADSTXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.Li/c1-3-6(2)7-4-5-8-6;/h1,3-5H2,2H3;/q-1;+1.
What are the key properties of lithium 2-ethyl-2-methyl-1,3-dioxolane?
lithium 2-ethyl-2-methyl-1,3-dioxolane has a molecular weight of 122.09 g/mol, XLogP of -2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 135050321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).