[cyclohexylidene(methoxy)methoxy] thiohypoiodite

C8H13IO2S — CID 143500356

IUPAC[cyclohexylidene(methoxy)methoxy] thiohypoiodite
SMILESCOC(OSI)=C1CCCCC1
InChIInChI=1S/C8H13IO2S/c1-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyFMIRAEFCCODYNB-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.82
Rot. Bonds3

About [cyclohexylidene(methoxy)methoxy] thiohypoiodite

[cyclohexylidene(methoxy)methoxy] thiohypoiodite (PubChem CID 143500356) has the molecular formula C8H13IO2S and a molecular weight of 300.16 g/mol. Its IUPAC name is [cyclohexylidene(methoxy)methoxy] thiohypoiodite.

Molecular Properties

Compound Name[cyclohexylidene(methoxy)methoxy] thiohypoiodite
PubChem CID143500356
Molecular FormulaC8H13IO2S
Molecular Weight300.16 g/mol
Exact Mass299.97
IUPAC Name[cyclohexylidene(methoxy)methoxy] thiohypoiodite
SMILESCOC(OSI)=C1CCCCC1
InChIInChI=1S/C8H13IO2S/c1-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyFMIRAEFCCODYNB-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Lithium cyclohexylidene(methoxy)methanolate
CID 23666053
lithium (Z)-cyclohexylidene(methoxy)methanolate
CID 134831327
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite;ethane
CID 144130466
Dimethoxymethylidenecyclohexane
CID 13085508
Cyclohexylidene(methoxy)methanol
CID 13284212
Lithium cyclohexylidene(ethoxy)methanolate
CID 23666719
(Z)-cyclohexylidene(methoxy)methanol
CID 137284856

Frequently Asked Questions

What is the IUPAC name of [cyclohexylidene(methoxy)methoxy] thiohypoiodite?
The IUPAC name of [cyclohexylidene(methoxy)methoxy] thiohypoiodite (CID 143500356) is [cyclohexylidene(methoxy)methoxy] thiohypoiodite.
What is the SMILES notation for [cyclohexylidene(methoxy)methoxy] thiohypoiodite?
The canonical SMILES for [cyclohexylidene(methoxy)methoxy] thiohypoiodite is COC(OSI)=C1CCCCC1.
What is the InChIKey of [cyclohexylidene(methoxy)methoxy] thiohypoiodite?
The InChIKey is FMIRAEFCCODYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2S/c1-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of [cyclohexylidene(methoxy)methoxy] thiohypoiodite?
[cyclohexylidene(methoxy)methoxy] thiohypoiodite has a molecular weight of 300.16 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylidene(methoxy)methoxy] thiohypoiodite is sourced from PubChem (CID 143500356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).