zinc;oxolane;propane;chloride

C7H15ClOZn — CID 131726893

IUPACzinc;oxolane;propane;chloride
SMILESC1CCOC1.[CH2-]CC.[Cl-].[Zn+2]
InChIInChI=1S/C4H8O.C3H7.ClH.Zn/c1-2-4-5-3-1;1-3-2;;/h1-4H2;1,3H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyNPNYDIUQBSBNCV-UHFFFAOYSA-M
MW216.04 g/mol
LogP-0.97
Rot. Bonds

About zinc;oxolane;propane;chloride

zinc;oxolane;propane;chloride (PubChem CID 131726893) has the molecular formula C7H15ClOZn and a molecular weight of 216.04 g/mol. Its IUPAC name is zinc;oxolane;propane;chloride.

Molecular Properties

Compound Namezinc;oxolane;propane;chloride
PubChem CID131726893
Molecular FormulaC7H15ClOZn
Molecular Weight216.04 g/mol
Exact Mass214.01
IUPAC Namezinc;oxolane;propane;chloride
SMILESC1CCOC1.[CH2-]CC.[Cl-].[Zn+2]
InChIInChI=1S/C4H8O.C3H7.ClH.Zn/c1-2-4-5-3-1;1-3-2;;/h1-4H2;1,3H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyNPNYDIUQBSBNCV-UHFFFAOYSA-M
XLogP-0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethanol;oxane
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1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
zinc;1,1-diethoxypropane;oxolane;bromide
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Frequently Asked Questions

What is the IUPAC name of zinc;oxolane;propane;chloride?
The IUPAC name of zinc;oxolane;propane;chloride (CID 131726893) is zinc;oxolane;propane;chloride.
What is the SMILES notation for zinc;oxolane;propane;chloride?
The canonical SMILES for zinc;oxolane;propane;chloride is C1CCOC1.[CH2-]CC.[Cl-].[Zn+2].
What is the InChIKey of zinc;oxolane;propane;chloride?
The InChIKey is NPNYDIUQBSBNCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.C3H7.ClH.Zn/c1-2-4-5-3-1;1-3-2;;/h1-4H2;1,3H2,2H3;1H;/q;-1;;+2/p-1.
What are the key properties of zinc;oxolane;propane;chloride?
zinc;oxolane;propane;chloride has a molecular weight of 216.04 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;oxolane;propane;chloride is sourced from PubChem (CID 131726893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).