HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1,3-Dioxacyclopent-4-ylmethyl p-Toluenesulfonate

HCID 11128985
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OCC2COCO2)cc1
InChIKey
FJCSZXVZASVZEO-UHFFFAOYSA-N
Molecular formula
C11H14O5S
Average molar mass
258.29 g/mol

Names & identifiers

Preferred name
1,3-Dioxacyclopent-4-ylmethyl p-Toluenesulfonate
IUPAC
1,3-dioxolan-4-ylmethyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL5722587FJCSZXVZASVZEO-UHFFFAOYSA-N1,3-Dioxacyclopent-4-ylmethyl p-Toluenesulfonate

Database identifiers

PubChem CID
11128985

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
326

Related reactions

2 records
New reaction record
HRID 65449 reaction equation
HRID 65449As productuspto-grants-1986_09
HRID 2339665 reaction equation
HRID 2339665As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes