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

C12H22O3Si — CID 124630606

IUPAC2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
SMILESCO[Si](CC[C@H]1C[C@H]2C=C[C@H]1C2)(OC)OC
InChIInChI=1S/C12H22O3Si/c1-13-16(14-2,15-3)7-6-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m0/s1
InChIKeyWLCVNBXWMQMKGJ-SRVKXCTJSA-N
MW242.39 g/mol
LogP2.47
Rot. Bonds6

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

2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane (PubChem CID 124630606) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
PubChem CID124630606
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
SMILESCO[Si](CC[C@H]1C[C@H]2C=C[C@H]1C2)(OC)OC
InChIInChI=1S/C12H22O3Si/c1-13-16(14-2,15-3)7-6-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m0/s1
InChIKeyWLCVNBXWMQMKGJ-SRVKXCTJSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.47
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-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
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-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
[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
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
2-bicyclo[2.2.1]hept-5-enyl-methoxy-propyl-(trimethoxysilylmethyl)silane
CID 140798648
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane?
The IUPAC name of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane (CID 124630606) is 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane is CO[Si](CC[C@H]1C[C@H]2C=C[C@H]1C2)(OC)OC.
What is the InChIKey of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane?
The InChIKey is WLCVNBXWMQMKGJ-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-13-16(14-2,15-3)7-6-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,12-/m0/s1.
What are the key properties of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane?
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane has a molecular weight of 242.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane is sourced from PubChem (CID 124630606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).