lithium 2-phenyl-1,3-dioxane

C10H11LiO2 — CID 134861329

IUPAClithium 2-phenyl-1,3-dioxane
SMILES[Li+].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.Li/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h2-3,5-6,10H,4,7-8H2;/q-1;+1
InChIKeyAXMAUFXKXVIGGI-UHFFFAOYSA-N
MW170.14 g/mol
LogP-1.07
Rot. Bonds1

About lithium 2-phenyl-1,3-dioxane

lithium 2-phenyl-1,3-dioxane (PubChem CID 134861329) has the molecular formula C10H11LiO2 and a molecular weight of 170.14 g/mol. Its IUPAC name is lithium 2-phenyl-1,3-dioxane.

Molecular Properties

Compound Namelithium 2-phenyl-1,3-dioxane
PubChem CID134861329
Molecular FormulaC10H11LiO2
Molecular Weight170.14 g/mol
Exact Mass170.09
IUPAC Namelithium 2-phenyl-1,3-dioxane
SMILES[Li+].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.Li/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h2-3,5-6,10H,4,7-8H2;/q-1;+1
InChIKeyAXMAUFXKXVIGGI-UHFFFAOYSA-N
XLogP-1.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-1.07
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-phenyl-1,3-dioxane?
The IUPAC name of lithium 2-phenyl-1,3-dioxane (CID 134861329) is lithium 2-phenyl-1,3-dioxane.
What is the SMILES notation for lithium 2-phenyl-1,3-dioxane?
The canonical SMILES for lithium 2-phenyl-1,3-dioxane is [Li+].[c-]1ccc(C2OCCCO2)cc1.
What is the InChIKey of lithium 2-phenyl-1,3-dioxane?
The InChIKey is AXMAUFXKXVIGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.Li/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h2-3,5-6,10H,4,7-8H2;/q-1;+1.
What are the key properties of lithium 2-phenyl-1,3-dioxane?
lithium 2-phenyl-1,3-dioxane has a molecular weight of 170.14 g/mol, XLogP of -1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-phenyl-1,3-dioxane is sourced from PubChem (CID 134861329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).