dioctadecoxy(oxo)phosphanium

C36H74O3P+ — CID 6327799

IUPACdioctadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1
InChIKeyOKXAFOJPRGDZPB-UHFFFAOYSA-N
MW585.96 g/mol
LogP14.20
Rot. Bonds36

About dioctadecoxy(oxo)phosphanium

dioctadecoxy(oxo)phosphanium (PubChem CID 6327799) has the molecular formula C36H74O3P+ and a molecular weight of 585.96 g/mol. Its IUPAC name is dioctadecoxy(oxo)phosphanium.

Molecular Properties

Compound Namedioctadecoxy(oxo)phosphanium
PubChem CID6327799
Molecular FormulaC36H74O3P+
Molecular Weight585.96 g/mol
Exact Mass585.54
IUPAC Namedioctadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1
InChIKeyOKXAFOJPRGDZPB-UHFFFAOYSA-N
XLogP14.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.96
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874

Frequently Asked Questions

What is the IUPAC name of dioctadecoxy(oxo)phosphanium?
The IUPAC name of dioctadecoxy(oxo)phosphanium (CID 6327799) is dioctadecoxy(oxo)phosphanium.
What is the SMILES notation for dioctadecoxy(oxo)phosphanium?
The canonical SMILES for dioctadecoxy(oxo)phosphanium is CCCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of dioctadecoxy(oxo)phosphanium?
The InChIKey is OKXAFOJPRGDZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1.
What are the key properties of dioctadecoxy(oxo)phosphanium?
dioctadecoxy(oxo)phosphanium has a molecular weight of 585.96 g/mol, XLogP of 14.20, 36 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioctadecoxy(oxo)phosphanium is sourced from PubChem (CID 6327799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).