tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane

C18H27F3O2Si — CID 67814232

IUPACtert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
SMILESCO[C@@H](c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C18H27F3O2Si/c1-17(2,3)24(5,6)23-15-11-10-12-13(15)8-7-9-14(12)16(22-4)18(19,20)21/h7-9,15-16H,10-11H2,1-6H3/t15?,16-/m0/s1
InChIKeyVGNVZSOBRAZTEU-LYKKTTPLSA-N
MW360.49 g/mol
LogP5.95
Rot. Bonds4

About tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane

tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane (PubChem CID 67814232) has the molecular formula C18H27F3O2Si and a molecular weight of 360.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
PubChem CID67814232
Molecular FormulaC18H27F3O2Si
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Nametert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
SMILESCO[C@@H](c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C18H27F3O2Si/c1-17(2,3)24(5,6)23-15-11-10-12-13(15)8-7-9-14(12)16(22-4)18(19,20)21/h7-9,15-16H,10-11H2,1-6H3/t15?,16-/m0/s1
InChIKeyVGNVZSOBRAZTEU-LYKKTTPLSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methoxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492530
tert-butyl-[3-[2,3-dimethoxy-5-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134982577
tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134983323
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 57706367
2-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)oxy]ethyl-trimethylsilane
CID 58950894
2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
CID 58950973
[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
CID 58951033
(2-(Cyclopentyl(methoxy)methyl)-5-(trifluoromethyl)benzyloxy)(tert-butyl)dimethylsilane
CID 58968676
(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene
CID 67058299
(1R)-6-fluoro-1-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 67121811
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 67430249
1-[1-(Tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2-difluoro-ethanol
CID 67811798

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane (CID 67814232) is tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane is CO[C@@H](c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?
The InChIKey is VGNVZSOBRAZTEU-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H27F3O2Si/c1-17(2,3)24(5,6)23-15-11-10-12-13(15)8-7-9-14(12)16(22-4)18(19,20)21/h7-9,15-16H,10-11H2,1-6H3/t15?,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?
tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane has a molecular weight of 360.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane is sourced from PubChem (CID 67814232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).