chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide

C9H13ClO3Zn — CID 15531636

IUPACchlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide
SMILESCCOC(OCC)c1cc[c-]o1.Cl[Zn+]
InChIInChI=1S/C9H13O3.ClH.Zn/c1-3-10-9(11-4-2)8-6-5-7-12-8;;/h5-6,9H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYOGOXTLXIFRXAK-UHFFFAOYSA-M
MW270.04 g/mol
LogP2.84
Rot. Bonds5

About chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide

chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide (PubChem CID 15531636) has the molecular formula C9H13ClO3Zn and a molecular weight of 270.04 g/mol. Its IUPAC name is chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide.

Molecular Properties

Compound Namechlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide
PubChem CID15531636
Molecular FormulaC9H13ClO3Zn
Molecular Weight270.04 g/mol
Exact Mass267.98
IUPAC Namechlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide
SMILESCCOC(OCC)c1cc[c-]o1.Cl[Zn+]
InChIInChI=1S/C9H13O3.ClH.Zn/c1-3-10-9(11-4-2)8-6-5-7-12-8;;/h5-6,9H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYOGOXTLXIFRXAK-UHFFFAOYSA-M
XLogP2.84
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide?
The IUPAC name of chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide (CID 15531636) is chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide.
What is the SMILES notation for chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide?
The canonical SMILES for chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide is CCOC(OCC)c1cc[c-]o1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide?
The InChIKey is YOGOXTLXIFRXAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13O3.ClH.Zn/c1-3-10-9(11-4-2)8-6-5-7-12-8;;/h5-6,9H,3-4H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide?
chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide has a molecular weight of 270.04 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);5-(diethoxymethyl)-2H-furan-2-ide is sourced from PubChem (CID 15531636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).