dioctoxy(oxo)phosphanium;zinc

C16H34O3PZn+ — CID 175522796

IUPACdioctoxy(oxo)phosphanium;zinc
SMILESCCCCCCCCO[P+](=O)OCCCCCCCC.[Zn]
InChIInChI=1S/C16H34O3P.Zn/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;
InChIKeyQCCKEFLWBYEBCI-UHFFFAOYSA-N
MW370.81 g/mol
LogP6.40
Rot. Bonds16

About dioctoxy(oxo)phosphanium;zinc

dioctoxy(oxo)phosphanium;zinc (PubChem CID 175522796) has the molecular formula C16H34O3PZn+ and a molecular weight of 370.81 g/mol. Its IUPAC name is dioctoxy(oxo)phosphanium;zinc.

Molecular Properties

Compound Namedioctoxy(oxo)phosphanium;zinc
PubChem CID175522796
Molecular FormulaC16H34O3PZn+
Molecular Weight370.81 g/mol
Exact Mass369.15
IUPAC Namedioctoxy(oxo)phosphanium;zinc
SMILESCCCCCCCCO[P+](=O)OCCCCCCCC.[Zn]
InChIInChI=1S/C16H34O3P.Zn/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;
InChIKeyQCCKEFLWBYEBCI-UHFFFAOYSA-N
XLogP6.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.81
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874

Frequently Asked Questions

What is the IUPAC name of dioctoxy(oxo)phosphanium;zinc?
The IUPAC name of dioctoxy(oxo)phosphanium;zinc (CID 175522796) is dioctoxy(oxo)phosphanium;zinc.
What is the SMILES notation for dioctoxy(oxo)phosphanium;zinc?
The canonical SMILES for dioctoxy(oxo)phosphanium;zinc is CCCCCCCCO[P+](=O)OCCCCCCCC.[Zn].
What is the InChIKey of dioctoxy(oxo)phosphanium;zinc?
The InChIKey is QCCKEFLWBYEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P.Zn/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;.
What are the key properties of dioctoxy(oxo)phosphanium;zinc?
dioctoxy(oxo)phosphanium;zinc has a molecular weight of 370.81 g/mol, XLogP of 6.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioctoxy(oxo)phosphanium;zinc is sourced from PubChem (CID 175522796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).