2-(phenoxy)oxane;zinc

C11H13O2Zn- — CID 151493414

IUPAC2-(phenoxy)oxane;zinc
SMILES[Zn].[c-]1cccc(OC2CCCCO2)c1
InChIInChI=1S/C11H13O2.Zn/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h1-2,6-7,11H,4-5,8-9H2;/q-1;
InChIKeyNJSONFNXOILCIY-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.39
Rot. Bonds2

About 2-(phenoxy)oxane;zinc

2-(phenoxy)oxane;zinc (PubChem CID 151493414) has the molecular formula C11H13O2Zn- and a molecular weight of 242.61 g/mol. Its IUPAC name is 2-(phenoxy)oxane;zinc.

Molecular Properties

Compound Name2-(phenoxy)oxane;zinc
PubChem CID151493414
Molecular FormulaC11H13O2Zn-
Molecular Weight242.61 g/mol
Exact Mass241.02
IUPAC Name2-(phenoxy)oxane;zinc
SMILES[Zn].[c-]1cccc(OC2CCCCO2)c1
InChIInChI=1S/C11H13O2.Zn/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h1-2,6-7,11H,4-5,8-9H2;/q-1;
InChIKeyNJSONFNXOILCIY-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(phenoxy)oxane;zinc with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxy)oxane;zinc?
The IUPAC name of 2-(phenoxy)oxane;zinc (CID 151493414) is 2-(phenoxy)oxane;zinc.
What is the SMILES notation for 2-(phenoxy)oxane;zinc?
The canonical SMILES for 2-(phenoxy)oxane;zinc is [Zn].[c-]1cccc(OC2CCCCO2)c1.
What is the InChIKey of 2-(phenoxy)oxane;zinc?
The InChIKey is NJSONFNXOILCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.Zn/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;/h1-2,6-7,11H,4-5,8-9H2;/q-1;.
What are the key properties of 2-(phenoxy)oxane;zinc?
2-(phenoxy)oxane;zinc has a molecular weight of 242.61 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxy)oxane;zinc is sourced from PubChem (CID 151493414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).