1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane

C12H22O3Si — CID 141272165

IUPAC1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
SMILESCC[Si](OC)(OC)OCC12C=CC(CC1)C2
InChIInChI=1S/C12H22O3Si/c1-4-16(13-2,14-3)15-10-12-7-5-11(9-12)6-8-12/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyZXYVRVBNJRBTNL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.61
Rot. Bonds6

About 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane

1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane (PubChem CID 141272165) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
PubChem CID141272165
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
SMILESCC[Si](OC)(OC)OCC12C=CC(CC1)C2
InChIInChI=1S/C12H22O3Si/c1-4-16(13-2,14-3)15-10-12-7-5-11(9-12)6-8-12/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyZXYVRVBNJRBTNL-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane (CID 141272165) is 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane is CC[Si](OC)(OC)OCC12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane?
The InChIKey is ZXYVRVBNJRBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-4-16(13-2,14-3)15-10-12-7-5-11(9-12)6-8-12/h5,7,11H,4,6,8-10H2,1-3H3.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane?
1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane has a molecular weight of 242.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane is sourced from PubChem (CID 141272165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).