2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane

C16H30OSi — CID 123384611

IUPAC2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane
SMILESCCCC[SiH](CCCC)OCC1CC2C=CC1C2
InChIInChI=1S/C16H30OSi/c1-3-5-9-18(10-6-4-2)17-13-16-12-14-7-8-15(16)11-14/h7-8,14-16,18H,3-6,9-13H2,1-2H3
InChIKeyPKSDNLAEPOIQOD-UHFFFAOYSA-N
MW266.50 g/mol
LogP4.54
Rot. Bonds9

About 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane

2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane (PubChem CID 123384611) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane
PubChem CID123384611
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane
SMILESCCCC[SiH](CCCC)OCC1CC2C=CC1C2
InChIInChI=1S/C16H30OSi/c1-3-5-9-18(10-6-4-2)17-13-16-12-14-7-8-15(16)11-14/h7-8,14-16,18H,3-6,9-13H2,1-2H3
InChIKeyPKSDNLAEPOIQOD-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane (CID 123384611) is 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane is CCCC[SiH](CCCC)OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane?
The InChIKey is PKSDNLAEPOIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-3-5-9-18(10-6-4-2)17-13-16-12-14-7-8-15(16)11-14/h7-8,14-16,18H,3-6,9-13H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane?
2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane has a molecular weight of 266.50 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethoxy(dibutyl)silane is sourced from PubChem (CID 123384611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).