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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Related Compounds

8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
4-(1,3-Dioxolan-2-yl)phenylmagnesium bromide, 0.5M in THF
CID 12585013
2-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
CID 146429651
(3-(2-methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide, 0.50 M in THF
CID 13634766
Lithium 2-methyl-2-phenyl-1,3-dioxolane
CID 15629141
2-[(E)-3-(4-methylpent-3-enoxy)prop-1-enyl]-1,3-dioxolane
CID 101541350
(3aR,7aS)-5-(dimethoxymethyl)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 125461996
Lithium 2-phenyl-1,3-dioxane
CID 134861329
Chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane
CID 134861409
(3aR,7aS)-2,2,5-trimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 135045594
Lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane
CID 135082478
Magnesium;2-phenyl-1,3-dioxolane;chloride
CID 135085756

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).