[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane

C13H25NO3Si — CID 10858597

IUPAC[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1[C@@H]2CON=C2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11-,12+/m1/s1
InChIKeyUNGKJGBAICDXLU-JLLWLGSASA-N
MW271.43 g/mol
LogP2.80
Rot. Bonds3

About [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane

[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10858597) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10858597
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1[C@@H]2CON=C2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11-,12+/m1/s1
InChIKeyUNGKJGBAICDXLU-JLLWLGSASA-N
XLogP2.80
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane (CID 10858597) is [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane is CO[C@H]1[C@@H]2CON=C2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UNGKJGBAICDXLU-JLLWLGSASA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11-,12+/m1/s1.
What are the key properties of [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 271.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10858597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).