2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane

C21H40O3Si — CID 169018395

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](CCC1CC2C=CC1C2)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-19(2,3)22-25(23-20(4,5)6,24-21(7,8)9)13-12-18-15-16-10-11-17(18)14-16/h10-11,16-18H,12-15H2,1-9H3
InChIKeyULEGDTUCQMGLFE-UHFFFAOYSA-N
MW368.63 g/mol
LogP5.97
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane (PubChem CID 169018395) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
PubChem CID169018395
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](CCC1CC2C=CC1C2)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-19(2,3)22-25(23-20(4,5)6,24-21(7,8)9)13-12-18-15-16-10-11-17(18)14-16/h10-11,16-18H,12-15H2,1-9H3
InChIKeyULEGDTUCQMGLFE-UHFFFAOYSA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilane
CID 171770532
bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane
CID 158466095
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 171770487
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
CID 173198502
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
CID 22228920
CID 22228920
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane (CID 169018395) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](CCC1CC2C=CC1C2)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is ULEGDTUCQMGLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-19(2,3)22-25(23-20(4,5)6,24-21(7,8)9)13-12-18-15-16-10-11-17(18)14-16/h10-11,16-18H,12-15H2,1-9H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 368.63 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 169018395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).