tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane

C21H31F3O3Si — CID 134983323

IUPACtert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
SMILESCOC1=C(CCCO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C21H31F3O3Si/c1-20(2,3)28(6,7)27-12-8-9-15-17-13-14(21(22,23)24)10-11-16(17)19(26-5)18(15)25-4/h10-11,13,19H,8-9,12H2,1-7H3
InChIKeyDPYIODTWJXRGHB-UHFFFAOYSA-N
MW416.56 g/mol
LogP6.57
Rot. Bonds7

About tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane

tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane (PubChem CID 134983323) has the molecular formula C21H31F3O3Si and a molecular weight of 416.56 g/mol. Its IUPAC name is tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
PubChem CID134983323
Molecular FormulaC21H31F3O3Si
Molecular Weight416.56 g/mol
Exact Mass416.20
IUPAC Nametert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
SMILESCOC1=C(CCCO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C21H31F3O3Si/c1-20(2,3)28(6,7)27-12-8-9-15-17-13-14(21(22,23)24)10-11-16(17)19(26-5)18(15)25-4/h10-11,13,19H,8-9,12H2,1-7H3
InChIKeyDPYIODTWJXRGHB-UHFFFAOYSA-N
XLogP6.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[5-[2-(dimethoxymethyl)-5-(trifluoromethyl)phenyl]pent-4-ynoxy]-dimethylsilane
CID 134884974
1,2-dimethoxy-3-pent-4-enyl-5-(trifluoromethyl)-1H-indene
CID 134981942
1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene
CID 134981943
3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene
CID 134982576
tert-butyl-[3-[2,3-dimethoxy-5-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134982577
1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene
CID 134982807
3-cyclohexyl-1,2-dimethoxy-5-(trifluoromethyl)-1H-indene
CID 134983322
1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene
CID 134983475
1,2-dimethoxy-3-methyl-6-(trifluoromethyl)-1H-indene
CID 134993349
1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene
CID 134993552
Tert-butyl-dimethyl-(3,3,3-trifluoro-2-methoxy-2-phenylpropoxy)silane
CID 21576690
tert-butyl-[[4-(2-fluorophenyl)-3-[(1S)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane
CID 57706424

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane (CID 134983323) is tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane is COC1=C(CCCO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)ccc2C1OC.
What is the InChIKey of tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane?
The InChIKey is DPYIODTWJXRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3O3Si/c1-20(2,3)28(6,7)27-12-8-9-15-17-13-14(21(22,23)24)10-11-16(17)19(26-5)18(15)25-4/h10-11,13,19H,8-9,12H2,1-7H3.
What are the key properties of tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane?
tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane has a molecular weight of 416.56 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 134983323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).