tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane

C13H23F3OSi — CID 158174309

IUPACtert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3OSi/c1-12(2,3)18(4,5)17-11-8-6-10(7-9-11)13(14,15)16/h6,11H,7-9H2,1-5H3
InChIKeyOXQIFESRLLAXHK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.05
Rot. Bonds2

About tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane (PubChem CID 158174309) has the molecular formula C13H23F3OSi and a molecular weight of 280.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane
PubChem CID158174309
Molecular FormulaC13H23F3OSi
Molecular Weight280.41 g/mol
Exact Mass280.15
IUPAC Nametert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3OSi/c1-12(2,3)18(4,5)17-11-8-6-10(7-9-11)13(14,15)16/h6,11H,7-9H2,1-5H3
InChIKeyOXQIFESRLLAXHK-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(1,1,1-trifluorodec-2-en-5-yloxy)silane
CID 140328262
1-Fluoronon-2-en-5-yloxy(trimethyl)silane
CID 140328265
Trimethyl(8,8,8-trifluorooct-6-en-4-yloxy)silane
CID 140333716
tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane
CID 161155158
Tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane
CID 173324918
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
1-Oxa-2-silacyclohept-4-ene, 2,2,5-trimethyl-7-(2-methyl-2-propenyl)-
CID 11344864
(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
CID 91982734
Tert-butyl-dimethyl-[1-[3-(trifluoromethyl)cyclopropen-1-yl]propan-2-yloxy]silane
CID 101513276
Tert-butyl-dimethyl-(3-prop-2-enylcyclopent-3-en-1-yl)oxysilane
CID 57025956
Triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane
CID 141407624
tert-butyl-dimethyl-[(1R)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 10977200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane (CID 158174309) is tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CC=C(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is OXQIFESRLLAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3OSi/c1-12(2,3)18(4,5)17-11-8-6-10(7-9-11)13(14,15)16/h6,11H,7-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 280.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 158174309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).