tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane

C17H30OSi — CID 153243261

IUPACtert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane
SMILESCCC1CC(O[Si](C)(C)C(C)(C)C)C2C=CC=CC12
InChIInChI=1S/C17H30OSi/c1-7-13-12-16(15-11-9-8-10-14(13)15)18-19(5,6)17(2,3)4/h8-11,13-16H,7,12H2,1-6H3
InChIKeyWRWFOGDDXFILQD-UHFFFAOYSA-N
MW278.51 g/mol
LogP5.17
Rot. Bonds3

About tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane

tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane (PubChem CID 153243261) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane
PubChem CID153243261
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane
SMILESCCC1CC(O[Si](C)(C)C(C)(C)C)C2C=CC=CC12
InChIInChI=1S/C17H30OSi/c1-7-13-12-16(15-11-9-8-10-14(13)15)18-19(5,6)17(2,3)4/h8-11,13-16H,7,12H2,1-6H3
InChIKeyWRWFOGDDXFILQD-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
trans-Indan-1,2-diol, bis-TMS
CID 6427270
(6E)-3-[(Trimethylsilyl)oxy]-9,10-secocholesta-5(10),6,8-triene
CID 5377359
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
[(1S,3aS,7aS)-4-ethenyl-5,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 58379355
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630454
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
CID 58630455
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630456
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630457

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane (CID 153243261) is tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane is CCC1CC(O[Si](C)(C)C(C)(C)C)C2C=CC=CC12.
What is the InChIKey of tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane?
The InChIKey is WRWFOGDDXFILQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-13-12-16(15-11-9-8-10-14(13)15)18-19(5,6)17(2,3)4/h8-11,13-16H,7,12H2,1-6H3.
What are the key properties of tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane?
tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 153243261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).