lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane

C10H10ClLiO2 — CID 135082478

IUPAClithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2[c-]cc(Cl)cc2)OCCO1.[Li+]
InChIInChI=1S/C10H10ClO2.Li/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;/h2,4-5H,6-7H2,1H3;/q-1;+1
InChIKeyJNFOXRDKZOOCII-UHFFFAOYSA-N
MW204.58 g/mol
LogP-0.64
Rot. Bonds1

About lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane

lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane (PubChem CID 135082478) has the molecular formula C10H10ClLiO2 and a molecular weight of 204.58 g/mol. Its IUPAC name is lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Namelithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane
PubChem CID135082478
Molecular FormulaC10H10ClLiO2
Molecular Weight204.58 g/mol
Exact Mass204.05
IUPAC Namelithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2[c-]cc(Cl)cc2)OCCO1.[Li+]
InChIInChI=1S/C10H10ClO2.Li/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;/h2,4-5H,6-7H2,1H3;/q-1;+1
InChIKeyJNFOXRDKZOOCII-UHFFFAOYSA-N
XLogP-0.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
(3aR,7aS)-2,2,4-trimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11052017
(3aS,7aS)-4-chloro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11106075
3a,7a-dihydro-2,2-dimethyl-1,3-Benzodioxole
CID 11768761
2-(2-Lithiophenyl)-1,3-dioxolane
CID 19784314
1,3-Benzodioxole, 3a,7a-dihydro-2,2,4-trimethyl-
CID 573109
(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
(3aR,7aS)-5-(1,1-dimethoxyethyl)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 125462066
Lithium 2-(3,4-dichlorobenzene-2-id-1-yl)-2-methyl-1,3-dioxolane
CID 134854483
Chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane
CID 134861409

Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane (CID 135082478) is lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane is CC1(c2[c-]cc(Cl)cc2)OCCO1.[Li+].
What is the InChIKey of lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane?
The InChIKey is JNFOXRDKZOOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClO2.Li/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8;/h2,4-5H,6-7H2,1H3;/q-1;+1.
What are the key properties of lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane?
lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane has a molecular weight of 204.58 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 135082478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).