[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane

C20H36O3Si — CID 90107245

IUPAC[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-17-10-9-16(13-17)19(20)18-12-14-7-8-15(18)11-14/h14-20H,4-13H2,1-3H3
InChIKeyMDWCWKBCSXZHPG-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.89
Rot. Bonds8

About [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane

[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane (PubChem CID 90107245) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
PubChem CID90107245
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1C2CCC(C2)C1C1CC2CCC1C2
InChIInChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-17-10-9-16(13-17)19(20)18-12-14-7-8-15(18)11-14/h14-20H,4-13H2,1-3H3
InChIKeyMDWCWKBCSXZHPG-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.89
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 [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane?
The IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane (CID 90107245) is [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane?
The canonical SMILES for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane is CCO[Si](OCC)(OCC)C1C2CCC(C2)C1C1CC2CCC1C2.
What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane?
The InChIKey is MDWCWKBCSXZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-17-10-9-16(13-17)19(20)18-12-14-7-8-15(18)11-14/h14-20H,4-13H2,1-3H3.
What are the key properties of [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane?
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane has a molecular weight of 352.59 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane is sourced from PubChem (CID 90107245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).