methanol;propan-1-ol;zinc

C4H12O2Zn — CID 150799125

IUPACmethanol;propan-1-ol;zinc
SMILESCCCO.CO.[Zn]
InChIInChI=1S/C3H8O.CH4O.Zn/c1-2-3-4;1-2;/h4H,2-3H2,1H3;2H,1H3;
InChIKeyPCQMMCFZHCFFED-UHFFFAOYSA-N
MW157.53 g/mol
LogP-0.01
Rot. Bonds1

About methanol;propan-1-ol;zinc

methanol;propan-1-ol;zinc (PubChem CID 150799125) has the molecular formula C4H12O2Zn and a molecular weight of 157.53 g/mol. Its IUPAC name is methanol;propan-1-ol;zinc.

Molecular Properties

Compound Namemethanol;propan-1-ol;zinc
PubChem CID150799125
Molecular FormulaC4H12O2Zn
Molecular Weight157.53 g/mol
Exact Mass156.01
IUPAC Namemethanol;propan-1-ol;zinc
SMILESCCCO.CO.[Zn]
InChIInChI=1S/C3H8O.CH4O.Zn/c1-2-3-4;1-2;/h4H,2-3H2,1H3;2H,1H3;
InChIKeyPCQMMCFZHCFFED-UHFFFAOYSA-N
XLogP-0.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.53
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 methanol;propan-1-ol;zinc?
The IUPAC name of methanol;propan-1-ol;zinc (CID 150799125) is methanol;propan-1-ol;zinc.
What is the SMILES notation for methanol;propan-1-ol;zinc?
The canonical SMILES for methanol;propan-1-ol;zinc is CCCO.CO.[Zn].
What is the InChIKey of methanol;propan-1-ol;zinc?
The InChIKey is PCQMMCFZHCFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH4O.Zn/c1-2-3-4;1-2;/h4H,2-3H2,1H3;2H,1H3;.
What are the key properties of methanol;propan-1-ol;zinc?
methanol;propan-1-ol;zinc has a molecular weight of 157.53 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propan-1-ol;zinc is sourced from PubChem (CID 150799125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).