dichlorozinc;oxolane

C4H8Cl2OZn — CID 11106600

IUPACdichlorozinc;oxolane
SMILESC1CCOC1.Cl[Zn]Cl
InChIInChI=1S/C4H8O.2ClH.Zn/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyHANCUBNDHABGSE-UHFFFAOYSA-L
MW208.40 g/mol
LogP2.17
Rot. Bonds

About dichlorozinc;oxolane

dichlorozinc;oxolane (PubChem CID 11106600) has the molecular formula C4H8Cl2OZn and a molecular weight of 208.40 g/mol. Its IUPAC name is dichlorozinc;oxolane.

Molecular Properties

Compound Namedichlorozinc;oxolane
PubChem CID11106600
Molecular FormulaC4H8Cl2OZn
Molecular Weight208.40 g/mol
Exact Mass205.92
IUPAC Namedichlorozinc;oxolane
SMILESC1CCOC1.Cl[Zn]Cl
InChIInChI=1S/C4H8O.2ClH.Zn/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyHANCUBNDHABGSE-UHFFFAOYSA-L
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozinc;oxolane?
The IUPAC name of dichlorozinc;oxolane (CID 11106600) is dichlorozinc;oxolane.
What is the SMILES notation for dichlorozinc;oxolane?
The canonical SMILES for dichlorozinc;oxolane is C1CCOC1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;oxolane?
The InChIKey is HANCUBNDHABGSE-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.2ClH.Zn/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;oxolane?
dichlorozinc;oxolane has a molecular weight of 208.40 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;oxolane is sourced from PubChem (CID 11106600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).