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

[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-acetaldehyde

HCID 57478686
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=O)C(=O)OC2
InChIKey
NRLFBOWBOJPNON-UHFFFAOYSA-N
Molecular formula
C17H24O5Si
Average molar mass
336.5 g/mol

Names & identifiers

Preferred name
[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-acetaldehyde
IUPAC
2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde

Names & synonyms

SCHEMBL1374948NRLFBOWBOJPNON-UHFFFAOYSA-NDB-180522[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-acetaldehyde1,3-Dihydro-6-methoxy-7-methyl-3-oxo-4-[2-(trimethylsilyl)ethoxy]-5-isobenzofuranacetaldehyde790702-58-8

Database identifiers

PubChem CID
57478686

Properties

Computed structural properties

Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
433

Related reactions

39 records
New reaction record
HRID 32966 reaction equation
HRID 32966As productuspto-grants-2008_09
HRID 32967 reaction equation
HRID 32967As reactantuspto-grants-2008_09
HRID 32969 reaction equation
HRID 32969As reactantuspto-grants-2008_09
HRID 32992 reaction equation
HRID 32992As reactantuspto-grants-2008_09
HRID 33630 reaction equation
HRID 33630As productuspto-grants-2008_09
HRID 33631 reaction equation
HRID 33631As reactantuspto-grants-2008_09
HRID 33633 reaction equation
HRID 33633As reactantuspto-grants-2008_09
HRID 33653 reaction equation
HRID 33653As reactantuspto-grants-2008_09
Page 1 of 5

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes