[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite

C6H10Cl2O4 — CID 68717145

IUPAC[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
SMILESC[C@H]1O[C@@](C)(O)[C@@H](OCl)[C@@H]1OCl
InChIInChI=1S/C6H10Cl2O4/c1-3-4(11-7)5(12-8)6(2,9)10-3/h3-5,9H,1-2H3/t3-,4-,5+,6-/m1/s1
InChIKeyRURLINCZYAVMQI-ARQDHWQXSA-N
MW217.05 g/mol
LogP1.19
Rot. Bonds2

About [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite

[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite (PubChem CID 68717145) has the molecular formula C6H10Cl2O4 and a molecular weight of 217.05 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
PubChem CID68717145
Molecular FormulaC6H10Cl2O4
Molecular Weight217.05 g/mol
Exact Mass216.00
IUPAC Name[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
SMILESC[C@H]1O[C@@](C)(O)[C@@H](OCl)[C@@H]1OCl
InChIInChI=1S/C6H10Cl2O4/c1-3-4(11-7)5(12-8)6(2,9)10-3/h3-5,9H,1-2H3/t3-,4-,5+,6-/m1/s1
InChIKeyRURLINCZYAVMQI-ARQDHWQXSA-N
XLogP1.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyloxetane-2,3-diol
CID 142770026
(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
CID 130875255
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
[(2R,3S,4S,5R)-4,5-diacetyloxy-6-bromo-6-hydroxy-2-methyloxan-3-yl] acetate
CID 69341993
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
3-hydroxy-3-methyl-N-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2,6-dimethyloxan-3-yl]butanamide
CID 154101083
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 54594433
CID 58183431
CID 58183431
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite?
The IUPAC name of [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite (CID 68717145) is [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite.
What is the SMILES notation for [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite?
The canonical SMILES for [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite is C[C@H]1O[C@@](C)(O)[C@@H](OCl)[C@@H]1OCl.
What is the InChIKey of [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite?
The InChIKey is RURLINCZYAVMQI-ARQDHWQXSA-N. The full InChI is InChI=1S/C6H10Cl2O4/c1-3-4(11-7)5(12-8)6(2,9)10-3/h3-5,9H,1-2H3/t3-,4-,5+,6-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite?
[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite has a molecular weight of 217.05 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite is sourced from PubChem (CID 68717145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).