5-chlorotrioxane

C3H5ClO3 — CID 150169287

IUPAC5-chlorotrioxane
SMILESClC1COOOC1
InChIInChI=1S/C3H5ClO3/c4-3-1-5-7-6-2-3/h3H,1-2H2
InChIKeyFJCCZECXAYTVSA-UHFFFAOYSA-N
MW124.52 g/mol
LogP0.49
Rot. Bonds

About 5-chlorotrioxane

5-chlorotrioxane (PubChem CID 150169287) has the molecular formula C3H5ClO3 and a molecular weight of 124.52 g/mol. Its IUPAC name is 5-chlorotrioxane.

Molecular Properties

Compound Name5-chlorotrioxane
PubChem CID150169287
Molecular FormulaC3H5ClO3
Molecular Weight124.52 g/mol
Exact Mass123.99
IUPAC Name5-chlorotrioxane
SMILESClC1COOOC1
InChIInChI=1S/C3H5ClO3/c4-3-1-5-7-6-2-3/h3H,1-2H2
InChIKeyFJCCZECXAYTVSA-UHFFFAOYSA-N
XLogP0.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.52
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichlorooxolane
CID 89404840
(3S)-3-chlorooxolane
CID 86312343
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
CID 88651642
4,4,5-trifluorotrioxane
CID 162226632
bis(oxetan-3-yl)methanone
CID 151302953
trioxane
CID 88655753
2-chloro-1,3-dioxetane
CID 57084930
4-(3-chlorocyclopentyl)oxane
CID 64515417
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
(2R)-oxirane-2-carbonyl chloride
CID 89298336
1-chloro-3-methoxycyclobutane
CID 66345507
2-methyloxirane;molecular iodine
CID 91277313

Frequently Asked Questions

What is the IUPAC name of 5-chlorotrioxane?
The IUPAC name of 5-chlorotrioxane (CID 150169287) is 5-chlorotrioxane.
What is the SMILES notation for 5-chlorotrioxane?
The canonical SMILES for 5-chlorotrioxane is ClC1COOOC1.
What is the InChIKey of 5-chlorotrioxane?
The InChIKey is FJCCZECXAYTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3/c4-3-1-5-7-6-2-3/h3H,1-2H2.
What are the key properties of 5-chlorotrioxane?
5-chlorotrioxane has a molecular weight of 124.52 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotrioxane is sourced from PubChem (CID 150169287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).