(Trimethylsilyl)ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate

HCID 54412444

Basic information

Standard SMILES
CC1(C)CCC(=O)c2ccc(C#Cc3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc21
InChIKey
VVBNXYSPTKYUKA-UHFFFAOYSA-N
Molecular formula
C26H30O3Si
Average molar mass
418.6 g/mol
Monoisotopic mass
418.19642135

Names & identifiers

Preferred name
(Trimethylsilyl)ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
IUPAC
2-trimethylsilylethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate

Names & synonyms

SCHEMBL7640560VVBNXYSPTKYUKA-UHFFFAOYSA-NTrimethylsilylethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate(Trimethylsilyl)ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate

Database identifiers

PubChem CID
54412444

Properties

Computed structural properties

Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
30

Related reactions

15 records

Linked notes

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