heptoxy-oxo-phenylphosphanium

C13H20O2P+ — CID 14512427

IUPACheptoxy-oxo-phenylphosphanium
SMILESCCCCCCCO[P+](=O)c1ccccc1
InChIInChI=1S/C13H20O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3/q+1
InChIKeyGQGDBTNVGGDXJD-UHFFFAOYSA-N
MW239.28 g/mol
LogP4.04
Rot. Bonds8

About heptoxy-oxo-phenylphosphanium

heptoxy-oxo-phenylphosphanium (PubChem CID 14512427) has the molecular formula C13H20O2P+ and a molecular weight of 239.28 g/mol. Its IUPAC name is heptoxy-oxo-phenylphosphanium.

Molecular Properties

Compound Nameheptoxy-oxo-phenylphosphanium
PubChem CID14512427
Molecular FormulaC13H20O2P+
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Nameheptoxy-oxo-phenylphosphanium
SMILESCCCCCCCO[P+](=O)c1ccccc1
InChIInChI=1S/C13H20O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3/q+1
InChIKeyGQGDBTNVGGDXJD-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-methylhexoxy-oxo-phenylphosphanium
CID 175576882
octoxy-phenyl-sulfanylidenephosphanium
CID 86243593
benzene;dihexoxy(oxo)phosphanium
CID 19391965
oxo-phenoxy-undecoxyphosphanium
CID 67392956
3-(hydroxyamino)propoxy-oxo-phenylphosphanium
CID 88775659
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
pentoxybenzene;undecane
CID 174778179
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033

Frequently Asked Questions

What is the IUPAC name of heptoxy-oxo-phenylphosphanium?
The IUPAC name of heptoxy-oxo-phenylphosphanium (CID 14512427) is heptoxy-oxo-phenylphosphanium.
What is the SMILES notation for heptoxy-oxo-phenylphosphanium?
The canonical SMILES for heptoxy-oxo-phenylphosphanium is CCCCCCCO[P+](=O)c1ccccc1.
What is the InChIKey of heptoxy-oxo-phenylphosphanium?
The InChIKey is GQGDBTNVGGDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2P/c1-2-3-4-5-9-12-15-16(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3/q+1.
What are the key properties of heptoxy-oxo-phenylphosphanium?
heptoxy-oxo-phenylphosphanium has a molecular weight of 239.28 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-oxo-phenylphosphanium is sourced from PubChem (CID 14512427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).