oxo-phenoxy-undecoxyphosphanium

C17H28O3P+ — CID 67392956

IUPACoxo-phenoxy-undecoxyphosphanium
SMILESCCCCCCCCCCCO[P+](=O)Oc1ccccc1
InChIInChI=1S/C17H28O3P/c1-2-3-4-5-6-7-8-9-13-16-19-21(18)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3/q+1
InChIKeyLPHSPLQQIAALEC-UHFFFAOYSA-N
MW311.38 g/mol
LogP6.27
Rot. Bonds13

About oxo-phenoxy-undecoxyphosphanium

oxo-phenoxy-undecoxyphosphanium (PubChem CID 67392956) has the molecular formula C17H28O3P+ and a molecular weight of 311.38 g/mol. Its IUPAC name is oxo-phenoxy-undecoxyphosphanium.

Molecular Properties

Compound Nameoxo-phenoxy-undecoxyphosphanium
PubChem CID67392956
Molecular FormulaC17H28O3P+
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameoxo-phenoxy-undecoxyphosphanium
SMILESCCCCCCCCCCCO[P+](=O)Oc1ccccc1
InChIInChI=1S/C17H28O3P/c1-2-3-4-5-6-7-8-9-13-16-19-21(18)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3/q+1
InChIKeyLPHSPLQQIAALEC-UHFFFAOYSA-N
XLogP6.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 56.27
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

1-ethyl-4-methylbenzene;oxo-[6-[oxo(phenoxy)phosphaniumyl]oxyhexoxy]-phenoxyphosphanium;pentane
CID 91446151
benzene;dihexoxy(oxo)phosphanium
CID 19391965
(4-formylphenoxy)-hexadecoxy-oxophosphanium
CID 57357192
octoxy-phenyl-sulfanylidenephosphanium
CID 86243593
hexyl-oxo-phenoxyphosphanium
CID 67135564
heptoxy-oxo-phenylphosphanium
CID 14512427
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
pentoxybenzene;undecane
CID 174778179
oxo-pentyl-phenoxyphosphanium
CID 67135329

Frequently Asked Questions

What is the IUPAC name of oxo-phenoxy-undecoxyphosphanium?
The IUPAC name of oxo-phenoxy-undecoxyphosphanium (CID 67392956) is oxo-phenoxy-undecoxyphosphanium.
What is the SMILES notation for oxo-phenoxy-undecoxyphosphanium?
The canonical SMILES for oxo-phenoxy-undecoxyphosphanium is CCCCCCCCCCCO[P+](=O)Oc1ccccc1.
What is the InChIKey of oxo-phenoxy-undecoxyphosphanium?
The InChIKey is LPHSPLQQIAALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3P/c1-2-3-4-5-6-7-8-9-13-16-19-21(18)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3/q+1.
What are the key properties of oxo-phenoxy-undecoxyphosphanium?
oxo-phenoxy-undecoxyphosphanium has a molecular weight of 311.38 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenoxy-undecoxyphosphanium is sourced from PubChem (CID 67392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).