tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane

C12H21F3OSi — CID 99775097

IUPACtert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1=C[C@@H]1C(F)(F)F
InChIInChI=1S/C12H21F3OSi/c1-11(2,3)17(4,5)16-7-6-9-8-10(9)12(13,14)15/h8,10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyGKJOGCLGZBWADU-JTQLQIEISA-N
MW266.38 g/mol
LogP4.52
Rot. Bonds4

About tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane (PubChem CID 99775097) has the molecular formula C12H21F3OSi and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane
PubChem CID99775097
Molecular FormulaC12H21F3OSi
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Nametert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1=C[C@@H]1C(F)(F)F
InChIInChI=1S/C12H21F3OSi/c1-11(2,3)17(4,5)16-7-6-9-8-10(9)12(13,14)15/h8,10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyGKJOGCLGZBWADU-JTQLQIEISA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.52
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

tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 18990277
(3aR,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 67769546
1-ethyl-3-(trifluoromethyl)cyclopropene
CID 163553184
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-[2-(1-methylimidazol-4-yl)ethoxy]silane
CID 58827181
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
CID 18346510
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
CID 15222237

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane (CID 99775097) is tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane is CC(C)(C)[Si](C)(C)OCCC1=C[C@@H]1C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane?
The InChIKey is GKJOGCLGZBWADU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21F3OSi/c1-11(2,3)17(4,5)16-7-6-9-8-10(9)12(13,14)15/h8,10H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane has a molecular weight of 266.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(3S)-3-(trifluoromethyl)cyclopropen-1-yl]ethoxy]silane is sourced from PubChem (CID 99775097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).