di(octan-4-yloxy)iodanium

C16H34IO2+ — CID 175807144

IUPACdi(octan-4-yloxy)iodanium
SMILESCCCCC(CCC)O[I+]OC(CCC)CCCC
InChIInChI=1S/C16H34IO2/c1-5-9-13-15(11-7-3)18-17-19-16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyWGYKRHFSRMJVQS-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.66
Rot. Bonds14

About di(octan-4-yloxy)iodanium

di(octan-4-yloxy)iodanium (PubChem CID 175807144) has the molecular formula C16H34IO2+ and a molecular weight of 385.35 g/mol. Its IUPAC name is di(octan-4-yloxy)iodanium.

Molecular Properties

Compound Namedi(octan-4-yloxy)iodanium
PubChem CID175807144
Molecular FormulaC16H34IO2+
Molecular Weight385.35 g/mol
Exact Mass385.16
IUPAC Namedi(octan-4-yloxy)iodanium
SMILESCCCCC(CCC)O[I+]OC(CCC)CCCC
InChIInChI=1S/C16H34IO2/c1-5-9-13-15(11-7-3)18-17-19-16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyWGYKRHFSRMJVQS-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexadecan-5-yloxyhexadecane
CID 57069400
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane
CID 155283672
sodium [(4R)-octan-4-yl] sulfate
CID 101368575
octan-4-yloxy(oxo)stannane
CID 173126397
4-icosan-4-yloxyicosane
CID 87313284
acetic acid;4-octan-4-yloxyoctane
CID 175036803
1-octan-4-yloxypropan-1-ol
CID 141313550
5-ethoxynonane
CID 91187482
nonan-5-yl hypofluorite
CID 174958722
dimethyl-tridecan-4-yloxy-trimethylsilylsilane
CID 590056
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
octan-4-ylperoxycyclohexane
CID 175376099

Frequently Asked Questions

What is the IUPAC name of di(octan-4-yloxy)iodanium?
The IUPAC name of di(octan-4-yloxy)iodanium (CID 175807144) is di(octan-4-yloxy)iodanium.
What is the SMILES notation for di(octan-4-yloxy)iodanium?
The canonical SMILES for di(octan-4-yloxy)iodanium is CCCCC(CCC)O[I+]OC(CCC)CCCC.
What is the InChIKey of di(octan-4-yloxy)iodanium?
The InChIKey is WGYKRHFSRMJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34IO2/c1-5-9-13-15(11-7-3)18-17-19-16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3/q+1.
What are the key properties of di(octan-4-yloxy)iodanium?
di(octan-4-yloxy)iodanium has a molecular weight of 385.35 g/mol, XLogP of 2.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(octan-4-yloxy)iodanium is sourced from PubChem (CID 175807144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).