benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane

C21H30OSi — CID 174992610

IUPACbenzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane
SMILESCC(C1=C2CCC(C2)C1)C1([SiH2]Cc2ccccc2)CCCCO1
InChIInChI=1S/C21H30OSi/c1-16(20-14-18-9-10-19(20)13-18)21(11-5-6-12-22-21)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15,23H2,1H3
InChIKeyRZPXDTXJSJWULU-UHFFFAOYSA-N
MW326.56 g/mol
LogP4.39
Rot. Bonds5

About benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane

benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane (PubChem CID 174992610) has the molecular formula C21H30OSi and a molecular weight of 326.56 g/mol. Its IUPAC name is benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane.

Molecular Properties

Compound Namebenzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane
PubChem CID174992610
Molecular FormulaC21H30OSi
Molecular Weight326.56 g/mol
Exact Mass326.21
IUPAC Namebenzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane
SMILESCC(C1=C2CCC(C2)C1)C1([SiH2]Cc2ccccc2)CCCCO1
InChIInChI=1S/C21H30OSi/c1-16(20-14-18-9-10-19(20)13-18)21(11-5-6-12-22-21)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15,23H2,1H3
InChIKeyRZPXDTXJSJWULU-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 54.39
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 benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane?
The IUPAC name of benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane (CID 174992610) is benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane.
What is the SMILES notation for benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane?
The canonical SMILES for benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane is CC(C1=C2CCC(C2)C1)C1([SiH2]Cc2ccccc2)CCCCO1.
What is the InChIKey of benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane?
The InChIKey is RZPXDTXJSJWULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OSi/c1-16(20-14-18-9-10-19(20)13-18)21(11-5-6-12-22-21)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15,23H2,1H3.
What are the key properties of benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane?
benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane has a molecular weight of 326.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[1-(2-bicyclo[2.2.1]hept-1-enyl)ethyl]oxan-2-yl]silane is sourced from PubChem (CID 174992610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).