[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane

C17H33NO3Si — CID 11558938

IUPAC[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCCN3C[C@H]2O1
InChIInChI=1S/C17H33NO3Si/c1-16(2,3)22(6,7)21-12-9-8-10-18-11-13-15(14(12)18)20-17(4,5)19-13/h12-15H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1
InChIKeyKPEORUGPQOSWKR-GBJTYRQASA-N
MW327.54 g/mol
LogP3.37
Rot. Bonds2

About [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane

[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11558938) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11558938
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Name[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCCN3C[C@H]2O1
InChIInChI=1S/C17H33NO3Si/c1-16(2,3)22(6,7)21-12-9-8-10-18-11-13-15(14(12)18)20-17(4,5)19-13/h12-15H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1
InChIKeyKPEORUGPQOSWKR-GBJTYRQASA-N
XLogP3.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane (CID 11558938) is [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCCN3C[C@H]2O1.
What is the InChIKey of [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KPEORUGPQOSWKR-GBJTYRQASA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-16(2,3)22(6,7)21-12-9-8-10-18-11-13-15(14(12)18)20-17(4,5)19-13/h12-15H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 327.54 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,9S,9aS,9bS)-2,2-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizin-9-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11558938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).