didecoxy-hydroxy-phenylphosphanium

C26H48O3P+ — CID 70413003

IUPACdidecoxy-hydroxy-phenylphosphanium
SMILESCCCCCCCCCCO[P+](O)(OCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C26H48O3P/c1-3-5-7-9-11-13-15-20-24-28-30(27,26-22-18-17-19-23-26)29-25-21-16-14-12-10-8-6-4-2/h17-19,22-23,27H,3-16,20-21,24-25H2,1-2H3/q+1
InChIKeyJWEWKZKVLLAQRN-UHFFFAOYSA-N
MW439.64 g/mol
LogP8.38
Rot. Bonds21

About didecoxy-hydroxy-phenylphosphanium

didecoxy-hydroxy-phenylphosphanium (PubChem CID 70413003) has the molecular formula C26H48O3P+ and a molecular weight of 439.64 g/mol. Its IUPAC name is didecoxy-hydroxy-phenylphosphanium.

Molecular Properties

Compound Namedidecoxy-hydroxy-phenylphosphanium
PubChem CID70413003
Molecular FormulaC26H48O3P+
Molecular Weight439.64 g/mol
Exact Mass439.33
IUPAC Namedidecoxy-hydroxy-phenylphosphanium
SMILESCCCCCCCCCCO[P+](O)(OCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C26H48O3P/c1-3-5-7-9-11-13-15-20-24-28-30(27,26-22-18-17-19-23-26)29-25-21-16-14-12-10-8-6-4-2/h17-19,22-23,27H,3-16,20-21,24-25H2,1-2H3/q+1
InChIKeyJWEWKZKVLLAQRN-UHFFFAOYSA-N
XLogP8.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 58.38
H-Bond Donors ≤ 51
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

hydroxy-di(nonoxy)-phenylphosphanium
CID 172838526
octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
hydroxy-octyl-diphenylphosphanium
CID 67135899
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
pentoxycarbonyl(triphenyl)phosphanium
CID 172731908
1-(N-tetradecoxyanilino)propan-1-ol
CID 174639561
2,2-di(undecoxy)ethylbenzene
CID 3023162
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
hexyl(triphenyl)phosphanium
CID 2724570
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of didecoxy-hydroxy-phenylphosphanium?
The IUPAC name of didecoxy-hydroxy-phenylphosphanium (CID 70413003) is didecoxy-hydroxy-phenylphosphanium.
What is the SMILES notation for didecoxy-hydroxy-phenylphosphanium?
The canonical SMILES for didecoxy-hydroxy-phenylphosphanium is CCCCCCCCCCO[P+](O)(OCCCCCCCCCC)c1ccccc1.
What is the InChIKey of didecoxy-hydroxy-phenylphosphanium?
The InChIKey is JWEWKZKVLLAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3P/c1-3-5-7-9-11-13-15-20-24-28-30(27,26-22-18-17-19-23-26)29-25-21-16-14-12-10-8-6-4-2/h17-19,22-23,27H,3-16,20-21,24-25H2,1-2H3/q+1.
What are the key properties of didecoxy-hydroxy-phenylphosphanium?
didecoxy-hydroxy-phenylphosphanium has a molecular weight of 439.64 g/mol, XLogP of 8.38, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didecoxy-hydroxy-phenylphosphanium is sourced from PubChem (CID 70413003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).