lithium 2-phenyl-1,3-dioxolane

C9H9LiO2 — CID 19784314

IUPAClithium 2-phenyl-1,3-dioxolane
SMILES[Li+].[c-]1ccccc1C1OCCO1
InChIInChI=1S/C9H9O2.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4,9H,6-7H2;/q-1;+1
InChIKeyLHQULAFKKSEKFJ-UHFFFAOYSA-N
MW156.11 g/mol
LogP-1.46
Rot. Bonds1

About lithium 2-phenyl-1,3-dioxolane

lithium 2-phenyl-1,3-dioxolane (PubChem CID 19784314) has the molecular formula C9H9LiO2 and a molecular weight of 156.11 g/mol. Its IUPAC name is lithium 2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Namelithium 2-phenyl-1,3-dioxolane
PubChem CID19784314
Molecular FormulaC9H9LiO2
Molecular Weight156.11 g/mol
Exact Mass156.08
IUPAC Namelithium 2-phenyl-1,3-dioxolane
SMILES[Li+].[c-]1ccccc1C1OCCO1
InChIInChI=1S/C9H9O2.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4,9H,6-7H2;/q-1;+1
InChIKeyLHQULAFKKSEKFJ-UHFFFAOYSA-N
XLogP-1.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 5-1.46
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-dioxolane?
The IUPAC name of lithium 2-phenyl-1,3-dioxolane (CID 19784314) is lithium 2-phenyl-1,3-dioxolane.
What is the SMILES notation for lithium 2-phenyl-1,3-dioxolane?
The canonical SMILES for lithium 2-phenyl-1,3-dioxolane is [Li+].[c-]1ccccc1C1OCCO1.
What is the InChIKey of lithium 2-phenyl-1,3-dioxolane?
The InChIKey is LHQULAFKKSEKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4,9H,6-7H2;/q-1;+1.
What are the key properties of lithium 2-phenyl-1,3-dioxolane?
lithium 2-phenyl-1,3-dioxolane has a molecular weight of 156.11 g/mol, XLogP of -1.46, 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-dioxolane is sourced from PubChem (CID 19784314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).