methane;molecular oxygen;oxozinc

C3H12O3Zn — CID 165014570

IUPACmethane;molecular oxygen;oxozinc
SMILESC.C.C.O=O.O=[Zn]
InChIInChI=1S/3CH4.O2.O.Zn/c;;;1-2;;/h3*1H4;;;
InChIKeyVMQVDHFDTULJFX-UHFFFAOYSA-N
MW161.52 g/mol
LogP1.85
Rot. Bonds

About methane;molecular oxygen;oxozinc

methane;molecular oxygen;oxozinc (PubChem CID 165014570) has the molecular formula C3H12O3Zn and a molecular weight of 161.52 g/mol. Its IUPAC name is methane;molecular oxygen;oxozinc.

Molecular Properties

Compound Namemethane;molecular oxygen;oxozinc
PubChem CID165014570
Molecular FormulaC3H12O3Zn
Molecular Weight161.52 g/mol
Exact Mass160.01
IUPAC Namemethane;molecular oxygen;oxozinc
SMILESC.C.C.O=O.O=[Zn]
InChIInChI=1S/3CH4.O2.O.Zn/c;;;1-2;;/h3*1H4;;;
InChIKeyVMQVDHFDTULJFX-UHFFFAOYSA-N
XLogP1.85
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.52
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methane;molecular oxygen;oxozinc?
The IUPAC name of methane;molecular oxygen;oxozinc (CID 165014570) is methane;molecular oxygen;oxozinc.
What is the SMILES notation for methane;molecular oxygen;oxozinc?
The canonical SMILES for methane;molecular oxygen;oxozinc is C.C.C.O=O.O=[Zn].
What is the InChIKey of methane;molecular oxygen;oxozinc?
The InChIKey is VMQVDHFDTULJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4.O2.O.Zn/c;;;1-2;;/h3*1H4;;;.
What are the key properties of methane;molecular oxygen;oxozinc?
methane;molecular oxygen;oxozinc has a molecular weight of 161.52 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular oxygen;oxozinc is sourced from PubChem (CID 165014570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).