18-(oxan-2-yloxy)octadecylphosphanium iodide

C23H48IO2P — CID 157231904

IUPAC18-(oxan-2-yloxy)octadecylphosphanium iodide
SMILES[I-].[PH3+]CCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H47O2P.HI/c26-22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-23-19-15-17-21-25-23;/h23H,1-22,26H2;1H
InChIKeyLUYFOKPVNQGSDE-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.38
Rot. Bonds19

About 18-(oxan-2-yloxy)octadecylphosphanium iodide

18-(oxan-2-yloxy)octadecylphosphanium iodide (PubChem CID 157231904) has the molecular formula C23H48IO2P and a molecular weight of 514.51 g/mol. Its IUPAC name is 18-(oxan-2-yloxy)octadecylphosphanium iodide.

Molecular Properties

Compound Name18-(oxan-2-yloxy)octadecylphosphanium iodide
PubChem CID157231904
Molecular FormulaC23H48IO2P
Molecular Weight514.51 g/mol
Exact Mass514.24
IUPAC Name18-(oxan-2-yloxy)octadecylphosphanium iodide
SMILES[I-].[PH3+]CCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H47O2P.HI/c26-22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-23-19-15-17-21-25-23;/h23H,1-22,26H2;1H
InChIKeyLUYFOKPVNQGSDE-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-(6-methylheptoxy)oxane
CID 139685112

Frequently Asked Questions

What is the IUPAC name of 18-(oxan-2-yloxy)octadecylphosphanium iodide?
The IUPAC name of 18-(oxan-2-yloxy)octadecylphosphanium iodide (CID 157231904) is 18-(oxan-2-yloxy)octadecylphosphanium iodide.
What is the SMILES notation for 18-(oxan-2-yloxy)octadecylphosphanium iodide?
The canonical SMILES for 18-(oxan-2-yloxy)octadecylphosphanium iodide is [I-].[PH3+]CCCCCCCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 18-(oxan-2-yloxy)octadecylphosphanium iodide?
The InChIKey is LUYFOKPVNQGSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47O2P.HI/c26-22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-23-19-15-17-21-25-23;/h23H,1-22,26H2;1H.
What are the key properties of 18-(oxan-2-yloxy)octadecylphosphanium iodide?
18-(oxan-2-yloxy)octadecylphosphanium iodide has a molecular weight of 514.51 g/mol, XLogP of 4.38, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(oxan-2-yloxy)octadecylphosphanium iodide is sourced from PubChem (CID 157231904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).