[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane

C12H24O3Si2 — CID 175391853

IUPAC[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane
SMILESCC[SiH](C1=C2CCC(C2)C1)[Si](OC)(OC)OC
InChIInChI=1S/C12H24O3Si2/c1-5-16(17(13-2,14-3)15-4)12-9-10-6-7-11(12)8-10/h10,16H,5-9H2,1-4H3
InChIKeyWBGJLGXWAHIJMG-UHFFFAOYSA-N
MW272.49 g/mol
LogP2.23
Rot. Bonds6

About [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane

[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane (PubChem CID 175391853) has the molecular formula C12H24O3Si2 and a molecular weight of 272.49 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane
PubChem CID175391853
Molecular FormulaC12H24O3Si2
Molecular Weight272.49 g/mol
Exact Mass272.13
IUPAC Name[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane
SMILESCC[SiH](C1=C2CCC(C2)C1)[Si](OC)(OC)OC
InChIInChI=1S/C12H24O3Si2/c1-5-16(17(13-2,14-3)15-4)12-9-10-6-7-11(12)8-10/h10,16H,5-9H2,1-4H3
InChIKeyWBGJLGXWAHIJMG-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane?
The IUPAC name of [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane (CID 175391853) is [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane.
What is the SMILES notation for [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane?
The canonical SMILES for [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane is CC[SiH](C1=C2CCC(C2)C1)[Si](OC)(OC)OC.
What is the InChIKey of [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane?
The InChIKey is WBGJLGXWAHIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si2/c1-5-16(17(13-2,14-3)15-4)12-9-10-6-7-11(12)8-10/h10,16H,5-9H2,1-4H3.
What are the key properties of [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane?
[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane has a molecular weight of 272.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane is sourced from PubChem (CID 175391853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).