dihexadecoxy(oxo)phosphanium

C32H66O3P+ — CID 6336657

IUPACdihexadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1
InChIKeyIEXRYDPZNWLKLE-UHFFFAOYSA-N
MW529.85 g/mol
LogP12.64
Rot. Bonds32

About dihexadecoxy(oxo)phosphanium

dihexadecoxy(oxo)phosphanium (PubChem CID 6336657) has the molecular formula C32H66O3P+ and a molecular weight of 529.85 g/mol. Its IUPAC name is dihexadecoxy(oxo)phosphanium.

Molecular Properties

Compound Namedihexadecoxy(oxo)phosphanium
PubChem CID6336657
Molecular FormulaC32H66O3P+
Molecular Weight529.85 g/mol
Exact Mass529.47
IUPAC Namedihexadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1
InChIKeyIEXRYDPZNWLKLE-UHFFFAOYSA-N
XLogP12.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.85
LogP ≤ 512.64
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'}

Analyze dihexadecoxy(oxo)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
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 dihexadecoxy(oxo)phosphanium?
The IUPAC name of dihexadecoxy(oxo)phosphanium (CID 6336657) is dihexadecoxy(oxo)phosphanium.
What is the SMILES notation for dihexadecoxy(oxo)phosphanium?
The canonical SMILES for dihexadecoxy(oxo)phosphanium is CCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCC.
What is the InChIKey of dihexadecoxy(oxo)phosphanium?
The InChIKey is IEXRYDPZNWLKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1.
What are the key properties of dihexadecoxy(oxo)phosphanium?
dihexadecoxy(oxo)phosphanium has a molecular weight of 529.85 g/mol, XLogP of 12.64, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihexadecoxy(oxo)phosphanium is sourced from PubChem (CID 6336657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).