6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline

C17H26OSi — CID 101266252

IUPAC6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline
SMILESC=CC1=CC[Si](C)(C)OC1C1=CCC2CC1C2(C)C
InChIInChI=1S/C17H26OSi/c1-6-12-9-10-19(4,5)18-16(12)14-8-7-13-11-15(14)17(13,2)3/h6,8-9,13,15-16H,1,7,10-11H2,2-5H3
InChIKeyTVFLCUKQQIAAGN-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.70
Rot. Bonds2

About 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline

6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline (PubChem CID 101266252) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline.

Molecular Properties

Compound Name6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline
PubChem CID101266252
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline
SMILESC=CC1=CC[Si](C)(C)OC1C1=CCC2CC1C2(C)C
InChIInChI=1S/C17H26OSi/c1-6-12-9-10-19(4,5)18-16(12)14-8-7-13-11-15(14)17(13,2)3/h6,8-9,13,15-16H,1,7,10-11H2,2-5H3
InChIKeyTVFLCUKQQIAAGN-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.70
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 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline?
The IUPAC name of 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline (CID 101266252) is 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline.
What is the SMILES notation for 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline?
The canonical SMILES for 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline is C=CC1=CC[Si](C)(C)OC1C1=CCC2CC1C2(C)C.
What is the InChIKey of 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline?
The InChIKey is TVFLCUKQQIAAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-6-12-9-10-19(4,5)18-16(12)14-8-7-13-11-15(14)17(13,2)3/h6,8-9,13,15-16H,1,7,10-11H2,2-5H3.
What are the key properties of 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline?
6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline has a molecular weight of 274.48 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-ethenyl-2,2-dimethyl-3,6-dihydrooxasiline is sourced from PubChem (CID 101266252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).