lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane

C10H9Cl2LiO2 — CID 134854483

IUPAClithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2[c-]c(Cl)c(Cl)cc2)OCCO1.[Li+]
InChIInChI=1S/C10H9Cl2O2.Li/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7;/h2-3H,4-5H2,1H3;/q-1;+1
InChIKeyZBGZFNJEEFZNBB-UHFFFAOYSA-N
MW239.03 g/mol
LogP0.02
Rot. Bonds1

About lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane

lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane (PubChem CID 134854483) has the molecular formula C10H9Cl2LiO2 and a molecular weight of 239.03 g/mol. Its IUPAC name is lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Namelithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane
PubChem CID134854483
Molecular FormulaC10H9Cl2LiO2
Molecular Weight239.03 g/mol
Exact Mass238.01
IUPAC Namelithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2[c-]c(Cl)c(Cl)cc2)OCCO1.[Li+]
InChIInChI=1S/C10H9Cl2O2.Li/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7;/h2-3H,4-5H2,1H3;/q-1;+1
InChIKeyZBGZFNJEEFZNBB-UHFFFAOYSA-N
XLogP0.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

(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
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
(4-(2-Methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide
CID 10880069
2-Cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
CID 163422201
Sodium 2-methyl-2-phenyl-1,3-dioxolane
CID 175781727
CID 15970871
CID 15970871
(4S)-4-[(1Z)-4,4-dichlorobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 45097789
CID 54690095
CID 54690095
8-Chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
CID 101238619

Frequently Asked Questions

What is the IUPAC name of lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane (CID 134854483) is lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane is CC1(c2[c-]c(Cl)c(Cl)cc2)OCCO1.[Li+].
What is the InChIKey of lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane?
The InChIKey is ZBGZFNJEEFZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2O2.Li/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7;/h2-3H,4-5H2,1H3;/q-1;+1.
What are the key properties of lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane?
lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane has a molecular weight of 239.03 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134854483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).