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

Ethyl [4-tert-butyl-3-(2-methoxyethoxy)phenoxy]acetate

HCID 58640405
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)COc1ccc(C(C)(C)C)c(OCCOC)c1
InChIKey
DDWDQLMGEGCTRB-UHFFFAOYSA-N
Molecular formula
C17H26O5
Average molar mass
310.4 g/mol

Names & identifiers

Preferred name
Ethyl [4-tert-butyl-3-(2-methoxyethoxy)phenoxy]acetate
IUPAC
ethyl 2-[4-tert-butyl-3-(2-methoxyethoxy)phenoxy]acetate

Names & synonyms

SCHEMBL14502009DDWDQLMGEGCTRB-UHFFFAOYSA-NEthyl [4-tert-butyl-3-(2-methoxyethoxy)phenoxy]acetate

Database identifiers

PubChem CID
58640405

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
22
Formal charge
0
Complexity
324

Related reactions

4 records
New reaction record
HRID 117113 reaction equation
HRID 117113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 816011 reaction equation
HRID 816011As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1350863 reaction equation
HRID 1350863As productuspto-grants-2007_05
HRID 1350864 reaction equation
HRID 1350864As reactantuspto-grants-2007_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes