oxozinc;toluene

C7H8OZn — CID 174379116

IUPACoxozinc;toluene
SMILESCc1ccccc1.O=[Zn]
InChIInChI=1S/C7H8.O.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;
InChIKeyLMSHOILZQYAOQT-UHFFFAOYSA-N
MW173.53 g/mol
LogP1.87
Rot. Bonds

About oxozinc;toluene

oxozinc;toluene (PubChem CID 174379116) has the molecular formula C7H8OZn and a molecular weight of 173.53 g/mol. Its IUPAC name is oxozinc;toluene.

Molecular Properties

Compound Nameoxozinc;toluene
PubChem CID174379116
Molecular FormulaC7H8OZn
Molecular Weight173.53 g/mol
Exact Mass171.99
IUPAC Nameoxozinc;toluene
SMILESCc1ccccc1.O=[Zn]
InChIInChI=1S/C7H8.O.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;
InChIKeyLMSHOILZQYAOQT-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.53
LogP ≤ 51.87
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 oxozinc;toluene?
The IUPAC name of oxozinc;toluene (CID 174379116) is oxozinc;toluene.
What is the SMILES notation for oxozinc;toluene?
The canonical SMILES for oxozinc;toluene is Cc1ccccc1.O=[Zn].
What is the InChIKey of oxozinc;toluene?
The InChIKey is LMSHOILZQYAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.O.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;.
What are the key properties of oxozinc;toluene?
oxozinc;toluene has a molecular weight of 173.53 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxozinc;toluene is sourced from PubChem (CID 174379116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).