ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane

C20H30O3Si — CID 86204169

IUPACethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane
SMILESC=C[Si](C1CCCC2OC21)(C1CCCC2OC21)C1CCCC2OC21
InChIInChI=1S/C20H30O3Si/c1-2-24(15-9-3-6-12-18(15)21-12,16-10-4-7-13-19(16)22-13)17-11-5-8-14-20(17)23-14/h2,12-20H,1,3-11H2
InChIKeyLPHOSLBPEWKLBE-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.12
Rot. Bonds4

About ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane

ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane (PubChem CID 86204169) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane.

Molecular Properties

Compound Nameethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane
PubChem CID86204169
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Nameethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane
SMILESC=C[Si](C1CCCC2OC21)(C1CCCC2OC21)C1CCCC2OC21
InChIInChI=1S/C20H30O3Si/c1-2-24(15-9-3-6-12-18(15)21-12,16-10-4-7-13-19(16)22-13)17-11-5-8-14-20(17)23-14/h2,12-20H,1,3-11H2
InChIKeyLPHOSLBPEWKLBE-UHFFFAOYSA-N
XLogP4.12
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The IUPAC name of ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane (CID 86204169) is ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane.
What is the SMILES notation for ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The canonical SMILES for ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane is C=C[Si](C1CCCC2OC21)(C1CCCC2OC21)C1CCCC2OC21.
What is the InChIKey of ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The InChIKey is LPHOSLBPEWKLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-2-24(15-9-3-6-12-18(15)21-12,16-10-4-7-13-19(16)22-13)17-11-5-8-14-20(17)23-14/h2,12-20H,1,3-11H2.
What are the key properties of ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane?
ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane has a molecular weight of 346.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-tris(7-oxabicyclo[4.1.0]heptan-2-yl)silane is sourced from PubChem (CID 86204169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).