tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane

C19H29NOSi — CID 135010370

IUPACtert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12
InChIInChI=1S/C19H29NOSi/c1-18(2,3)22(5,6)21-17-13-19(4)15(17)12-16(20-19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-,17-,19+/m1/s1
InChIKeyCAOGGTNOFAZUNO-SUMDDJOVSA-N
MW315.53 g/mol
LogP5.05
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane (PubChem CID 135010370) has the molecular formula C19H29NOSi and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane
PubChem CID135010370
Molecular FormulaC19H29NOSi
Molecular Weight315.53 g/mol
Exact Mass315.20
IUPAC Nametert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12
InChIInChI=1S/C19H29NOSi/c1-18(2,3)22(5,6)21-17-13-19(4)15(17)12-16(20-19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-,17-,19+/m1/s1
InChIKeyCAOGGTNOFAZUNO-SUMDDJOVSA-N
XLogP5.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 66847764
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 66847765
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]oxy]-dimethylsilane
CID 68606885
tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
CID 135017340
(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene
CID 135037908
tert-butyl-dimethyl-[[(3R)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy]silane
CID 11265828
trimethyl-[[(4R,6R)-3-phenyl-4-prop-2-enyl-5,6-dihydro-4H-oxazin-6-yl]methyl]silane
CID 14788495
trimethyl-[(5-phenyl-3,4-dihydro-2H-pyrrol-3-yl)oxy]silane
CID 85701400
(5-benzyl-3,4-dihydro-2H-pyrrol-3-yl)oxy-trimethylsilane
CID 85701403
Trimethyl-[(6-phenyl-2,3,4,5-tetrahydropyridin-3-yl)oxy]silane
CID 85701409
[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy-tri(propan-2-yl)silane
CID 101671794
[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy-tri(propan-2-yl)silane
CID 101671795

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane (CID 135010370) is tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane?
The InChIKey is CAOGGTNOFAZUNO-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H29NOSi/c1-18(2,3)22(5,6)21-17-13-19(4)15(17)12-16(20-19)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-,17-,19+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane has a molecular weight of 315.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane is sourced from PubChem (CID 135010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).