sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride

C18H29F2NaO2Si — CID 67813953

IUPACsodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F.[H-].[Na+]
InChIInChI=1S/C18H28F2O2Si.Na.H/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20;;/h7-9,15-17H,10-11H2,1-6H3;;/q;+1;-1
InChIKeyMVXZOGHLPHZTTD-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.76
Rot. Bonds5

About sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride

sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride (PubChem CID 67813953) has the molecular formula C18H29F2NaO2Si and a molecular weight of 366.50 g/mol. Its IUPAC name is sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride.

Molecular Properties

Compound Namesodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride
PubChem CID67813953
Molecular FormulaC18H29F2NaO2Si
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Namesodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F.[H-].[Na+]
InChIInChI=1S/C18H28F2O2Si.Na.H/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20;;/h7-9,15-17H,10-11H2,1-6H3;;/q;+1;-1
InChIKeyMVXZOGHLPHZTTD-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.76
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

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
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
1-[1-(Tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2-difluoro-ethanol
CID 67811798
Tert-butyl-[4-(2,2-difluoro-1-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67811810
2-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2-difluoro-ethanol
CID 67812842
tert-butyl-[[(1S)-4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67813661

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride?
The IUPAC name of sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride (CID 67813953) is sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride.
What is the SMILES notation for sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride?
The canonical SMILES for sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride is COC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F.[H-].[Na+].
What is the InChIKey of sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride?
The InChIKey is MVXZOGHLPHZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O2Si.Na.H/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20;;/h7-9,15-17H,10-11H2,1-6H3;;/q;+1;-1.
What are the key properties of sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride?
sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride has a molecular weight of 366.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride is sourced from PubChem (CID 67813953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).