ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane

C14H22OSi — CID 154080236

IUPACethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
SMILESCCO[SiH2]C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H22OSi/c1-2-15-16-12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7,16H2,1H3
InChIKeyACKCAPZEOAPHIH-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.37
Rot. Bonds3

About ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane

ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane (PubChem CID 154080236) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane.

Molecular Properties

Compound Nameethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
PubChem CID154080236
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Nameethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
SMILESCCO[SiH2]C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H22OSi/c1-2-15-16-12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7,16H2,1H3
InChIKeyACKCAPZEOAPHIH-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'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 ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The IUPAC name of ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane (CID 154080236) is ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane.
What is the SMILES notation for ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The canonical SMILES for ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane is CCO[SiH2]C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The InChIKey is ACKCAPZEOAPHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-2-15-16-12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7,16H2,1H3.
What are the key properties of ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane has a molecular weight of 234.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane is sourced from PubChem (CID 154080236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).