2-(18-iodooctadecoxy)oxane

C23H45IO2 — CID 86124950

IUPAC2-(18-iodooctadecoxy)oxane
SMILESICCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H45IO2/c24-20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-25-23-19-15-18-22-26-23/h23H,1-22H2
InChIKeyRLTCZZPDKZAGOV-UHFFFAOYSA-N
MW480.52 g/mol
LogP8.21
Rot. Bonds19

About 2-(18-iodooctadecoxy)oxane

2-(18-iodooctadecoxy)oxane (PubChem CID 86124950) has the molecular formula C23H45IO2 and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-(18-iodooctadecoxy)oxane.

Molecular Properties

Compound Name2-(18-iodooctadecoxy)oxane
PubChem CID86124950
Molecular FormulaC23H45IO2
Molecular Weight480.52 g/mol
Exact Mass480.25
IUPAC Name2-(18-iodooctadecoxy)oxane
SMILESICCCCCCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H45IO2/c24-20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-25-23-19-15-18-22-26-23/h23H,1-22H2
InChIKeyRLTCZZPDKZAGOV-UHFFFAOYSA-N
XLogP8.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
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-(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
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562

Frequently Asked Questions

What is the IUPAC name of 2-(18-iodooctadecoxy)oxane?
The IUPAC name of 2-(18-iodooctadecoxy)oxane (CID 86124950) is 2-(18-iodooctadecoxy)oxane.
What is the SMILES notation for 2-(18-iodooctadecoxy)oxane?
The canonical SMILES for 2-(18-iodooctadecoxy)oxane is ICCCCCCCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(18-iodooctadecoxy)oxane?
The InChIKey is RLTCZZPDKZAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45IO2/c24-20-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-25-23-19-15-18-22-26-23/h23H,1-22H2.
What are the key properties of 2-(18-iodooctadecoxy)oxane?
2-(18-iodooctadecoxy)oxane has a molecular weight of 480.52 g/mol, XLogP of 8.21, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18-iodooctadecoxy)oxane is sourced from PubChem (CID 86124950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).