(4-oxocyclohexyl)methoxy thiohypoiodite

C7H11IO2S — CID 143754074

IUPAC(4-oxocyclohexyl)methoxy thiohypoiodite
SMILESO=C1CCC(COSI)CC1
InChIInChI=1S/C7H11IO2S/c8-11-10-5-6-1-3-7(9)4-2-6/h6H,1-5H2
InChIKeyQOJOABZQFPIXFL-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.76
Rot. Bonds3

About (4-oxocyclohexyl)methoxy thiohypoiodite

(4-oxocyclohexyl)methoxy thiohypoiodite (PubChem CID 143754074) has the molecular formula C7H11IO2S and a molecular weight of 286.13 g/mol. Its IUPAC name is (4-oxocyclohexyl)methoxy thiohypoiodite.

Molecular Properties

Compound Name(4-oxocyclohexyl)methoxy thiohypoiodite
PubChem CID143754074
Molecular FormulaC7H11IO2S
Molecular Weight286.13 g/mol
Exact Mass285.95
IUPAC Name(4-oxocyclohexyl)methoxy thiohypoiodite
SMILESO=C1CCC(COSI)CC1
InChIInChI=1S/C7H11IO2S/c8-11-10-5-6-1-3-7(9)4-2-6/h6H,1-5H2
InChIKeyQOJOABZQFPIXFL-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(iodomethyl)cyclohexan-1-one
CID 15439179
4-(prop-2-enoxymethyl)cyclohexan-1-one
CID 58548771
4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one
CID 140597292
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
CID 106929555
(4-oxocyclohexyl)methyl piperidine-4-carboxylate
CID 170173347
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
4-ethylcycloheptan-1-one
CID 15698158
4-but-3-enylcyclohexan-1-one
CID 130029411
4-(azidomethyl)cyclohexan-1-one
CID 151735095

Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl)methoxy thiohypoiodite?
The IUPAC name of (4-oxocyclohexyl)methoxy thiohypoiodite (CID 143754074) is (4-oxocyclohexyl)methoxy thiohypoiodite.
What is the SMILES notation for (4-oxocyclohexyl)methoxy thiohypoiodite?
The canonical SMILES for (4-oxocyclohexyl)methoxy thiohypoiodite is O=C1CCC(COSI)CC1.
What is the InChIKey of (4-oxocyclohexyl)methoxy thiohypoiodite?
The InChIKey is QOJOABZQFPIXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO2S/c8-11-10-5-6-1-3-7(9)4-2-6/h6H,1-5H2.
What are the key properties of (4-oxocyclohexyl)methoxy thiohypoiodite?
(4-oxocyclohexyl)methoxy thiohypoiodite has a molecular weight of 286.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl)methoxy thiohypoiodite is sourced from PubChem (CID 143754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).