[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane

C20H33NO3Si — CID 15415065

IUPAC[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1COC[C@@H]2[C@H]1CON2Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-17-12-22-15-19-18(17)14-23-21(19)11-16-9-7-6-8-10-16/h6-10,17-19H,11-15H2,1-5H3/t17-,18-,19+/m0/s1
InChIKeyFNPQCRYSRNGCEQ-GBESFXJTSA-N
MW363.57 g/mol
LogP4.09
Rot. Bonds5

About [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 15415065) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID15415065
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1COC[C@@H]2[C@H]1CON2Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-17-12-22-15-19-18(17)14-23-21(19)11-16-9-7-6-8-10-16/h6-10,17-19H,11-15H2,1-5H3/t17-,18-,19+/m0/s1
InChIKeyFNPQCRYSRNGCEQ-GBESFXJTSA-N
XLogP4.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(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) is [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1COC[C@@H]2[C@H]1CON2Cc1ccccc1.
What is the InChIKey of [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FNPQCRYSRNGCEQ-GBESFXJTSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-17-12-22-15-19-18(17)14-23-21(19)11-16-9-7-6-8-10-16/h6-10,17-19H,11-15H2,1-5H3/t17-,18-,19+/m0/s1.
What are the key properties of [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 363.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15415065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).