CCOC(=O)C1=CC=C(C=C1)C(=C[Si](C)(C)C)C2=CC3=C(C=C2C)C(CCC3=O)(C)C
名称: ethyl 4-[1-(3,5,5-trimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)C(=C[Si](C)(C)C)C2=CC3=C(C=C2C)C(CCC3=O)(C)C

Molecular Processing

Molecular formula
C27H34O3Si
Molecular weight
434.65
Exact mass
434.2277
XLogP
6.73
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
130.59

Supplementary Information

InChIKey: WYWFDXVZQZPBJR-UHFFFAOYSA-N
同義語
SCHEMBL6752825WYWFDXVZQZPBJR-UHFFFAOYSA-NEthyl 4-[1-(5,6,7,8-tetrahydro-3,5,5-trimethyl-8-oxo-2-naphthalenyl)-2- trimethylsilyl-ethenyl]benzoateEthyl 4-[1-(5,6,7,8-tetrahydro-3,5,5-trimethyl-8-oxo-2-naphthalenyl)-2-trimethylsilyl -ethenyl]benzoateethyl 4-[1-(5,6,7,8-tetrahydro-3,5,5-trimethyl-8-oxo-2naphthalenyl)-2-trimethylsilyl-ethenyl]benzoate
出典を見る →
4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→