tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane

C17H29NO2Si — CID 11822969

IUPACtert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C[C@H]2ON=C3CCC[C@@H]1[C@H]32
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-14-10-7-11-15-16-12(14)8-6-9-13(16)18-19-15/h7,11-12,14-16H,6,8-10H2,1-5H3/t12-,14?,15+,16+/m0/s1
InChIKeyOPKSOCVOPJMZAQ-FHNKSYRXSA-N
MW307.51 g/mol
LogP4.51
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane (PubChem CID 11822969) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane
PubChem CID11822969
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Nametert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C[C@H]2ON=C3CCC[C@@H]1[C@H]32
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-14-10-7-11-15-16-12(14)8-6-9-13(16)18-19-15/h7,11-12,14-16H,6,8-10H2,1-5H3/t12-,14?,15+,16+/m0/s1
InChIKeyOPKSOCVOPJMZAQ-FHNKSYRXSA-N
XLogP4.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 158464609
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(3R,3aR,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane (CID 11822969) is tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane is CC(C)(C)[Si](C)(C)OC1CC=C[C@H]2ON=C3CCC[C@@H]1[C@H]32.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane?
The InChIKey is OPKSOCVOPJMZAQ-FHNKSYRXSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-14-10-7-11-15-16-12(14)8-6-9-13(16)18-19-15/h7,11-12,14-16H,6,8-10H2,1-5H3/t12-,14?,15+,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane has a molecular weight of 307.51 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,8R,13R)-2-oxa-3-azatricyclo[6.4.1.04,13]trideca-3,11-dien-9-yl]oxy]silane is sourced from PubChem (CID 11822969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).