[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane

C11H21NO2Si — CID 131743945

IUPAC[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane
SMILESCC1(C)OC[C@@H]2CC=C(O[Si](C)(C)C)N21
InChIInChI=1S/C11H21NO2Si/c1-11(2)12-9(8-13-11)6-7-10(12)14-15(3,4)5/h7,9H,6,8H2,1-5H3/t9-/m0/s1
InChIKeyZDWHIJPAWDYAPU-VIFPVBQESA-N
MW227.38 g/mol
LogP2.52
Rot. Bonds2

About [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane

[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane (PubChem CID 131743945) has the molecular formula C11H21NO2Si and a molecular weight of 227.38 g/mol. Its IUPAC name is [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane
PubChem CID131743945
Molecular FormulaC11H21NO2Si
Molecular Weight227.38 g/mol
Exact Mass227.13
IUPAC Name[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane
SMILESCC1(C)OC[C@@H]2CC=C(O[Si](C)(C)C)N21
InChIInChI=1S/C11H21NO2Si/c1-11(2)12-9(8-13-11)6-7-10(12)14-15(3,4)5/h7,9H,6,8H2,1-5H3/t9-/m0/s1
InChIKeyZDWHIJPAWDYAPU-VIFPVBQESA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane?
The IUPAC name of [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane (CID 131743945) is [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane is CC1(C)OC[C@@H]2CC=C(O[Si](C)(C)C)N21.
What is the InChIKey of [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane?
The InChIKey is ZDWHIJPAWDYAPU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2Si/c1-11(2)12-9(8-13-11)6-7-10(12)14-15(3,4)5/h7,9H,6,8H2,1-5H3/t9-/m0/s1.
What are the key properties of [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane?
[(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane has a molecular weight of 227.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 131743945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).