dioctoxy(oxo)phosphanium

C16H34O3P+ — CID 6328721

IUPACdioctoxy(oxo)phosphanium
SMILESCCCCCCCCO[P+](=O)OCCCCCCCC
InChIInChI=1S/C16H34O3P/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
InChIKeyPLSFNSJUKGEOSL-UHFFFAOYSA-N
MW305.42 g/mol
LogP6.40
Rot. Bonds16

About dioctoxy(oxo)phosphanium

dioctoxy(oxo)phosphanium (PubChem CID 6328721) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is dioctoxy(oxo)phosphanium.

Molecular Properties

Compound Namedioctoxy(oxo)phosphanium
PubChem CID6328721
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Namedioctoxy(oxo)phosphanium
SMILESCCCCCCCCO[P+](=O)OCCCCCCCC
InChIInChI=1S/C16H34O3P/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
InChIKeyPLSFNSJUKGEOSL-UHFFFAOYSA-N
XLogP6.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Trilauryl phosphite
CID 76495
Dicetyl Phosphate
CID 75143
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Hexadecyl phosphate
CID 19059
Monotridecyl phosphate
CID 82161
Potassium Lauryl Phosphate
CID 11970398
Didodecyl phosphate
CID 23467
Phosphoric acid, trihexyl ester
CID 75666
Didodecyl phosphonate
CID 88863

Frequently Asked Questions

What is the IUPAC name of dioctoxy(oxo)phosphanium?
The IUPAC name of dioctoxy(oxo)phosphanium (CID 6328721) is dioctoxy(oxo)phosphanium.
What is the SMILES notation for dioctoxy(oxo)phosphanium?
The canonical SMILES for dioctoxy(oxo)phosphanium is CCCCCCCCO[P+](=O)OCCCCCCCC.
What is the InChIKey of dioctoxy(oxo)phosphanium?
The InChIKey is PLSFNSJUKGEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P/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?
dioctoxy(oxo)phosphanium has a molecular weight of 305.42 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 is sourced from PubChem (CID 6328721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).