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'}

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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).