tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane

C21H33F3OSi — CID 12965438

IUPACtert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane
SMILESC/C(=C\Cc1cccc(C(F)(F)F)c1)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33F3OSi/c1-17(10-7-8-15-25-26(5,6)20(2,3)4)13-14-18-11-9-12-19(16-18)21(22,23)24/h9,11-13,16H,7-8,10,14-15H2,1-6H3/b17-13+
InChIKeyPYKVVTOPQMWEPN-GHRIWEEISA-N
MW386.57 g/mol
LogP7.39
Rot. Bonds8

About tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane

tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane (PubChem CID 12965438) has the molecular formula C21H33F3OSi and a molecular weight of 386.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane
PubChem CID12965438
Molecular FormulaC21H33F3OSi
Molecular Weight386.57 g/mol
Exact Mass386.23
IUPAC Nametert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane
SMILESC/C(=C\Cc1cccc(C(F)(F)F)c1)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33F3OSi/c1-17(10-7-8-15-25-26(5,6)20(2,3)4)13-14-18-11-9-12-19(16-18)21(22,23)24/h9,11-13,16H,7-8,10,14-15H2,1-6H3/b17-13+
InChIKeyPYKVVTOPQMWEPN-GHRIWEEISA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-7-(3-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965439
2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
CID 162014884
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
1-[3,5-bis(trifluoromethyl)phenyl]-4-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 123426645
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane (CID 12965438) is tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane is C/C(=C\Cc1cccc(C(F)(F)F)c1)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane?
The InChIKey is PYKVVTOPQMWEPN-GHRIWEEISA-N. The full InChI is InChI=1S/C21H33F3OSi/c1-17(10-7-8-15-25-26(5,6)20(2,3)4)13-14-18-11-9-12-19(16-18)21(22,23)24/h9,11-13,16H,7-8,10,14-15H2,1-6H3/b17-13+.
What are the key properties of tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane?
tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane has a molecular weight of 386.57 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-5-methyl-7-[3-(trifluoromethyl)phenyl]hept-5-enoxy]silane is sourced from PubChem (CID 12965438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).