octoxy thiohypoiodite

C8H17IOS — CID 134267423

IUPACoctoxy thiohypoiodite
SMILESCCCCCCCCOSI
InChIInChI=1S/C8H17IOS/c1-2-3-4-5-6-7-8-10-11-9/h2-8H2,1H3
InChIKeyDCKUHRPXMGQAHF-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.36
Rot. Bonds8

About octoxy thiohypoiodite

octoxy thiohypoiodite (PubChem CID 134267423) has the molecular formula C8H17IOS and a molecular weight of 288.19 g/mol. Its IUPAC name is octoxy thiohypoiodite.

Molecular Properties

Compound Nameoctoxy thiohypoiodite
PubChem CID134267423
Molecular FormulaC8H17IOS
Molecular Weight288.19 g/mol
Exact Mass288.00
IUPAC Nameoctoxy thiohypoiodite
SMILESCCCCCCCCOSI
InChIInChI=1S/C8H17IOS/c1-2-3-4-5-6-7-8-10-11-9/h2-8H2,1H3
InChIKeyDCKUHRPXMGQAHF-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.36
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': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tetracosoxy thiohypoiodite
CID 175742005
ethane;octadecane
CID 143981738
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-octylperoxynonane
CID 151564626
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of octoxy thiohypoiodite?
The IUPAC name of octoxy thiohypoiodite (CID 134267423) is octoxy thiohypoiodite.
What is the SMILES notation for octoxy thiohypoiodite?
The canonical SMILES for octoxy thiohypoiodite is CCCCCCCCOSI.
What is the InChIKey of octoxy thiohypoiodite?
The InChIKey is DCKUHRPXMGQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IOS/c1-2-3-4-5-6-7-8-10-11-9/h2-8H2,1H3.
What are the key properties of octoxy thiohypoiodite?
octoxy thiohypoiodite has a molecular weight of 288.19 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy thiohypoiodite is sourced from PubChem (CID 134267423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).