2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane

C15H28O3Si — CID 124925724

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
SMILESCCO[Si](CC[C@H]1C[C@H]2C=C[C@@H]1C2)(OCC)OCC
InChIInChI=1S/C15H28O3Si/c1-4-16-19(17-5-2,18-6-3)10-9-15-12-13-7-8-14(15)11-13/h7-8,13-15H,4-6,9-12H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyCNMOGEYKYQEDHS-ZNMIVQPWSA-N
MW284.47 g/mol
LogP3.64
Rot. Bonds9

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane

2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane (PubChem CID 124925724) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
PubChem CID124925724
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
SMILESCCO[Si](CC[C@H]1C[C@H]2C=C[C@@H]1C2)(OCC)OCC
InChIInChI=1S/C15H28O3Si/c1-4-16-19(17-5-2,18-6-3)10-9-15-12-13-7-8-14(15)11-13/h7-8,13-15H,4-6,9-12H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyCNMOGEYKYQEDHS-ZNMIVQPWSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.64
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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane
CID 22229061
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-di(propan-2-yl)silane
CID 22229016
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
CID 14985012
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilane
CID 171770532
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
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
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
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
CID 173198637

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane (CID 124925724) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane is CCO[Si](CC[C@H]1C[C@H]2C=C[C@@H]1C2)(OCC)OCC.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane?
The InChIKey is CNMOGEYKYQEDHS-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-4-16-19(17-5-2,18-6-3)10-9-15-12-13-7-8-14(15)11-13/h7-8,13-15H,4-6,9-12H2,1-3H3/t13-,14+,15-/m0/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane has a molecular weight of 284.47 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane is sourced from PubChem (CID 124925724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).