oxane;zinc

C5H10OZn — CID 66716277

IUPACoxane;zinc
SMILESC1CCOCC1.[Zn]
InChIInChI=1S/C5H10O.Zn/c1-2-4-6-5-3-1;/h1-5H2;
InChIKeyUQUHCKQQWVFQJA-UHFFFAOYSA-N
MW151.52 g/mol
LogP1.18
Rot. Bonds

About oxane;zinc

oxane;zinc (PubChem CID 66716277) has the molecular formula C5H10OZn and a molecular weight of 151.52 g/mol. Its IUPAC name is oxane;zinc.

Molecular Properties

Compound Nameoxane;zinc
PubChem CID66716277
Molecular FormulaC5H10OZn
Molecular Weight151.52 g/mol
Exact Mass150.00
IUPAC Nameoxane;zinc
SMILESC1CCOCC1.[Zn]
InChIInChI=1S/C5H10O.Zn/c1-2-4-6-5-3-1;/h1-5H2;
InChIKeyUQUHCKQQWVFQJA-UHFFFAOYSA-N
XLogP1.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.52
LogP ≤ 51.18
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 oxane;zinc?
The IUPAC name of oxane;zinc (CID 66716277) is oxane;zinc.
What is the SMILES notation for oxane;zinc?
The canonical SMILES for oxane;zinc is C1CCOCC1.[Zn].
What is the InChIKey of oxane;zinc?
The InChIKey is UQUHCKQQWVFQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Zn/c1-2-4-6-5-3-1;/h1-5H2;.
What are the key properties of oxane;zinc?
oxane;zinc has a molecular weight of 151.52 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;zinc is sourced from PubChem (CID 66716277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).