2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane

C12H22O3Si — CID 22388779

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1CC2C=CC1C2)(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
InChIKeyWLCVNBXWMQMKGJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane (PubChem CID 22388779) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane
PubChem CID22388779
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1CC2C=CC1C2)(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
InChIKeyWLCVNBXWMQMKGJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane (CID 22388779) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane is CO[Si](CCC1CC2C=CC1C2)(OC)OC.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane?
The InChIKey is WLCVNBXWMQMKGJ-UHFFFAOYSA-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.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane?
2-(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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane is sourced from PubChem (CID 22388779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).