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

Butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-pyridinyl]prop-2-enoate

HCID 76542301
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOC(=O)C=Cc1cc(CO[Si](C)(C)C(C)(C)C)cc(OC)n1
InChIKey
NUNJQIHKVWIVPD-UHFFFAOYSA-N
Molecular formula
C20H33NO4Si
Average molar mass
379.6 g/mol
Monoisotopic mass
379.21788507

Names & identifiers

Preferred name
Butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-pyridinyl]prop-2-enoate
IUPAC
butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-pyridinyl]prop-2-enoate

Database identifiers

PubChem CID
76542301

Properties

Computed structural properties

Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
26
Formal charge
0
Complexity
459

Related reactions

2 records
New reaction record
HRID 162263 reaction equation
HRID 162263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 937364 reaction equation
HRID 937364As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes