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

[3-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyloxy]-acetic acid tert-butyl ester

HCID 69586495
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc(COCC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1
InChIKey
BFZWFMYJHQLRFL-UHFFFAOYSA-N
Molecular formula
C20H31BO5
Average molar mass
362.3 g/mol

Names & identifiers

Preferred name
[3-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyloxy]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]acetate

Names & synonyms

631910-06-0SCHEMBL5840471BFZWFMYJHQLRFL-UHFFFAOYSA-Ntert-Butyl2-((3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)acetate[3-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyloxy]-acetic acid tert-butyl estertert-Butyl 2-((3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)acetate

Database identifiers

PubChem CID
69586495

Properties

Computed structural properties

Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Formal charge
0
Complexity
481

Related reactions

7 records
New reaction record
HRID 306062 reaction equation
HRID 306062As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 723092 reaction equation
HRID 723092As reactantuspto-grants-2006_11
HRID 723258 reaction equation
HRID 723258As productuspto-grants-2006_11
HRID 723259 reaction equation
HRID 723259As reactantuspto-grants-2006_11
HRID 2216045 reaction equation
HRID 2216045As reactantuspto-grants-2006_09
HRID 2216208 reaction equation
HRID 2216208As productuspto-grants-2006_09
HRID 2216209 reaction equation
HRID 2216209As reactantuspto-grants-2006_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes