Methyl 2,2-dimethyl-4-[3-(3-pyridyl)-2-propenyl]-8-(t-butyldimethylsiloxy)-octanoate

HCID 67916587

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(C)(C)CC(CC=Cc1cccnc1)CCCCO[Si](C)(C)C(C)(C)C
InChIKey: KHYZYMQQNMQMLI-UHFFFAOYSA-N
Molecular formula: C25H43NO3Si
Average molar mass: 433.7 g/mol
Monoisotopic mass: 433.30122077

Names & identifiers

Preferred name: Methyl 2,2-dimethyl-4-[3-(3-pyridyl)-2-propenyl]-8-(t-butyldimethylsiloxy)-octanoate
IUPAC: methyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(3-pyridin-3-ylprop-2-enyl)octanoate

Names & synonyms

SCHEMBL9733100KHYZYMQQNMQMLI-UHFFFAOYSA-Nmethyl 2,2-dimethyl-4-[3-(3-pyridyl)-2-propenyl]-8-(t-butyldimethylsiloxy)-octanoatemethyl 2,2-dimethyl-4-[3-(3-pyridyl)-2-propenyl]-8-(t-butyldimethylsiloxy)octanoatemethyl 2,2-dimethyl-4-[3-(3-pyridyl)-2-propenyl]-8-(t-butyldimethylsilyloxy)-octanoate

Database identifiers

PubChem CID: 67916587

Properties

Computed structural properties

Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 14
Heavy atoms: 30
Formal charge: 0
Complexity: 537

Related reactions

6 records

New reaction record

HRID 299039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 465567As productuspto-grants-1992_10

HRID 465568As reactantuspto-grants-1992_10

HRID 1230527As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1494111As productuspto-grants-1991_06

HRID 1494112As reactantuspto-grants-1991_06

Compound notes

Loading…