8-bicyclo[5.1.0]octanyl(triethoxy)silane

C14H28O3Si — CID 67644159

IUPAC8-bicyclo[5.1.0]octanyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C1C2CCCCCC21
InChIInChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13(12)14/h12-14H,4-11H2,1-3H3
InChIKeyCPWVZIRVYAYBLY-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.62
Rot. Bonds7

About 8-bicyclo[5.1.0]octanyl(triethoxy)silane

8-bicyclo[5.1.0]octanyl(triethoxy)silane (PubChem CID 67644159) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 8-bicyclo[5.1.0]octanyl(triethoxy)silane.

Molecular Properties

Compound Name8-bicyclo[5.1.0]octanyl(triethoxy)silane
PubChem CID67644159
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name8-bicyclo[5.1.0]octanyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C1C2CCCCCC21
InChIInChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13(12)14/h12-14H,4-11H2,1-3H3
InChIKeyCPWVZIRVYAYBLY-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.62
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 8-bicyclo[5.1.0]octanyl(triethoxy)silane?
The IUPAC name of 8-bicyclo[5.1.0]octanyl(triethoxy)silane (CID 67644159) is 8-bicyclo[5.1.0]octanyl(triethoxy)silane.
What is the SMILES notation for 8-bicyclo[5.1.0]octanyl(triethoxy)silane?
The canonical SMILES for 8-bicyclo[5.1.0]octanyl(triethoxy)silane is CCO[Si](OCC)(OCC)C1C2CCCCCC21.
What is the InChIKey of 8-bicyclo[5.1.0]octanyl(triethoxy)silane?
The InChIKey is CPWVZIRVYAYBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13(12)14/h12-14H,4-11H2,1-3H3.
What are the key properties of 8-bicyclo[5.1.0]octanyl(triethoxy)silane?
8-bicyclo[5.1.0]octanyl(triethoxy)silane has a molecular weight of 272.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bicyclo[5.1.0]octanyl(triethoxy)silane is sourced from PubChem (CID 67644159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).