[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane

C29H35NO2Si — CID 10671554

IUPAC[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CC[C@@H]2CON(Cc3ccccc3)[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24-22-31-30(28(24)27)21-23-13-7-4-8-14-23/h4-18,24,27-28H,19-22H2,1-3H3/t24-,27+,28+/m1/s1
InChIKeyGORSTEVFNPSWFH-KGPYPHOUSA-N
MW457.69 g/mol
LogP5.16
Rot. Bonds6

About [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane

[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 10671554) has the molecular formula C29H35NO2Si and a molecular weight of 457.69 g/mol. Its IUPAC name is [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
PubChem CID10671554
Molecular FormulaC29H35NO2Si
Molecular Weight457.69 g/mol
Exact Mass457.24
IUPAC Name[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CC[C@@H]2CON(Cc3ccccc3)[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24-22-31-30(28(24)27)21-23-13-7-4-8-14-23/h4-18,24,27-28H,19-22H2,1-3H3/t24-,27+,28+/m1/s1
InChIKeyGORSTEVFNPSWFH-KGPYPHOUSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

(3aS,6R,6aR)-1-benzyl-6-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
CID 10779068
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
[(1S,3S,4S)-3-benzyl-4-[tert-butyl(diphenyl)silyl]oxycyclohexyl] methanesulfonate
CID 140824530
[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
CID 10837631
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
CID 101389307

Frequently Asked Questions

What is the IUPAC name of [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane (CID 10671554) is [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1CC[C@@H]2CON(Cc3ccccc3)[C@@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is GORSTEVFNPSWFH-KGPYPHOUSA-N. The full InChI is InChI=1S/C29H35NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24-22-31-30(28(24)27)21-23-13-7-4-8-14-23/h4-18,24,27-28H,19-22H2,1-3H3/t24-,27+,28+/m1/s1.
What are the key properties of [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane?
[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 457.69 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10671554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).