tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane

C18H35NOSi — CID 171974272

IUPACtert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane
SMILESCN1C2C=C(CCCO[Si](C)(C)C(C)(C)C)CC1CCC2
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(5,6)20-12-8-9-15-13-16-10-7-11-17(14-15)19(16)4/h13,16-17H,7-12,14H2,1-6H3
InChIKeyGOVWAICOEJLBOI-UHFFFAOYSA-N
MW309.57 g/mol
LogP4.97
Rot. Bonds5

About tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane

tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane (PubChem CID 171974272) has the molecular formula C18H35NOSi and a molecular weight of 309.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane
PubChem CID171974272
Molecular FormulaC18H35NOSi
Molecular Weight309.57 g/mol
Exact Mass309.25
IUPAC Nametert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane
SMILESCN1C2C=C(CCCO[Si](C)(C)C(C)(C)C)CC1CCC2
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(5,6)20-12-8-9-15-13-16-10-7-11-17(14-15)19(16)4/h13,16-17H,7-12,14H2,1-6H3
InChIKeyGOVWAICOEJLBOI-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane (CID 171974272) is tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane is CN1C2C=C(CCCO[Si](C)(C)C(C)(C)C)CC1CCC2.
What is the InChIKey of tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane?
The InChIKey is GOVWAICOEJLBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NOSi/c1-18(2,3)21(5,6)20-12-8-9-15-13-16-10-7-11-17(14-15)19(16)4/h13,16-17H,7-12,14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane?
tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane has a molecular weight of 309.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane is sourced from PubChem (CID 171974272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).