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IMPPAT Phytochemical information:
Tetradecanoic acid, trimethylsilyl ester
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016860
Phytochemical name:
Tetradecanoic acid, trimethylsilyl ester
Synonymous chemical names:
tetradecanoic acid, trimethyl silyl ester(isomeric form), tetradecanoicacid,trimethylsilylester(isomericform)
External chemical identifiers:
CID:519592
,
SureChEMBL:SCHEMBL6554418
Chemical structure information
SMILES:
CCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChI:
InChI=1S/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3
InChIKey:
ZRVCKPDUOGAPSZ-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCC=O)O[Si]C)C)C
Functional groups:
CC(=O)O[Si](C)(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organometallic compounds
ClassyFire Class:
Organometalloid compounds
ClassyFire Subclass:
Organosilicon compounds
NP Classifier Biosynthetic pathway:
Fatty acids
NP-Likeness score:
0.191
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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