tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane

C16H29NOSi — CID 167494918

IUPACtert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane
SMILESC=C1CCN2C3CC3CC12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-7-8-17-14-9-13(14)10-16(12,17)11-18-19(5,6)15(2,3)4/h13-14H,1,7-11H2,2-6H3
InChIKeyVJWCVATYYLIBIX-UHFFFAOYSA-N
MW279.50 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane

tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane (PubChem CID 167494918) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane
PubChem CID167494918
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Nametert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane
SMILESC=C1CCN2C3CC3CC12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-7-8-17-14-9-13(14)10-16(12,17)11-18-19(5,6)15(2,3)4/h13-14H,1,7-11H2,2-6H3
InChIKeyVJWCVATYYLIBIX-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane (CID 167494918) is tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane is C=C1CCN2C3CC3CC12CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane?
The InChIKey is VJWCVATYYLIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-12-7-8-17-14-9-13(14)10-16(12,17)11-18-19(5,6)15(2,3)4/h13-14H,1,7-11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane?
tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane has a molecular weight of 279.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(7-methylidene-1-azatricyclo[4.3.0.02,4]nonan-6-yl)methoxy]silane is sourced from PubChem (CID 167494918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).