3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole

C16H20OSi — CID 102099199

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole
SMILESC[Si]1(C)OC(C2CC3C=CC2C3)c2ccccc21
InChIInChI=1S/C16H20OSi/c1-18(2)15-6-4-3-5-13(15)16(17-18)14-10-11-7-8-12(14)9-11/h3-8,11-12,14,16H,9-10H2,1-2H3
InChIKeyQPHWKVOIPRRVQT-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.38
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole

3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole (PubChem CID 102099199) has the molecular formula C16H20OSi and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole
PubChem CID102099199
Molecular FormulaC16H20OSi
Molecular Weight256.42 g/mol
Exact Mass256.13
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole
SMILESC[Si]1(C)OC(C2CC3C=CC2C3)c2ccccc21
InChIInChI=1S/C16H20OSi/c1-18(2)15-6-4-3-5-13(15)16(17-18)14-10-11-7-8-12(14)9-11/h3-8,11-12,14,16H,9-10H2,1-2H3
InChIKeyQPHWKVOIPRRVQT-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.38
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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Related Compounds

3-Hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
CID 11266223
4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
CID 135044537
Benzhydryloxy(triethyl)silane
CID 11403798
Benzhydryloxy-tert-butyl-dimethylsilane
CID 11483397
1,1,3,3-Tetramethyl-2,1-benzoxasilole
CID 90354910
3-butyl-1,1-dimethyl-3H-2,1-benzoxasilole
CID 101575489
1,1-Diethyl-3-phenyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 102266034
3,3-Dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole
CID 102298277
1,1-diethyl-3-methyl-3H-2,1-benzoxasilole
CID 121000768
1,1,3-Trimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 123570997
3-Butyl-1,1-diisopropyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 124033977
3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
CID 135044737

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole (CID 102099199) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole is C[Si]1(C)OC(C2CC3C=CC2C3)c2ccccc21.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole?
The InChIKey is QPHWKVOIPRRVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OSi/c1-18(2)15-6-4-3-5-13(15)16(17-18)14-10-11-7-8-12(14)9-11/h3-8,11-12,14,16H,9-10H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole?
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole has a molecular weight of 256.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole is sourced from PubChem (CID 102099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).