[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane

C32H41NO2Si2 — CID 71713269

IUPAC[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane
SMILESC[Si](C)(C[C@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C32H41NO2Si2/c1-36(2,26-16-10-6-11-17-26)22-25-20-21-28-30-31(35-32(34-30)24-14-8-5-9-15-24)29(33(25)28)23-37(3,4)27-18-12-7-13-19-27/h5-19,25,28-32H,20-23H2,1-4H3/t25-,28-,29-,30+,31-,32+/m1/s1
InChIKeyHGIWVLXAGJBNJL-JSJVQHDDSA-N
MW527.86 g/mol
LogP5.92
Rot. Bonds7

About [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane

[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane (PubChem CID 71713269) has the molecular formula C32H41NO2Si2 and a molecular weight of 527.86 g/mol. Its IUPAC name is [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane
PubChem CID71713269
Molecular FormulaC32H41NO2Si2
Molecular Weight527.86 g/mol
Exact Mass527.27
IUPAC Name[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane
SMILESC[Si](C)(C[C@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C32H41NO2Si2/c1-36(2,26-16-10-6-11-17-26)22-25-20-21-28-30-31(35-32(34-30)24-14-8-5-9-15-24)29(33(25)28)23-37(3,4)27-18-12-7-13-19-27/h5-19,25,28-32H,20-23H2,1-4H3/t25-,28-,29-,30+,31-,32+/m1/s1
InChIKeyHGIWVLXAGJBNJL-JSJVQHDDSA-N
XLogP5.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.86
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane with MolForge

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Related Compounds

(1S,2S,3S,5S,8S)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 46188980
(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 71713268
(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 102140748
(2S,3aR,4R,8aR,8bS)-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 102140749
(1S,8S,9R,10S)-11-benzyl-4,4-dimethyl-9-phenylmethoxy-10-(phenylmethoxymethyl)-3,5,7-trioxa-11-azatricyclo[6.3.0.02,6]undecane
CID 135009090
(1S,2S,3S,5R,8S)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135015735
[(2S,3aR,4R,6R,8aR,8bS)-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane
CID 135022499
(2S,3aR,4R,6S,8aR,8bS)-6-methyl-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine
CID 135022500
[(2S,3aR,4S,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
CID 135023027
(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-6-methyl-2-phenyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 135023083
[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
CID 135023084
(1R,2R,3R,7S,8R)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,7-tris(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 15981815

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane?
The IUPAC name of [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane (CID 71713269) is [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane.
What is the SMILES notation for [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane?
The canonical SMILES for [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane is C[Si](C)(C[C@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1.
What is the InChIKey of [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane?
The InChIKey is HGIWVLXAGJBNJL-JSJVQHDDSA-N. The full InChI is InChI=1S/C32H41NO2Si2/c1-36(2,26-16-10-6-11-17-26)22-25-20-21-28-30-31(35-32(34-30)24-14-8-5-9-15-24)29(33(25)28)23-37(3,4)27-18-12-7-13-19-27/h5-19,25,28-32H,20-23H2,1-4H3/t25-,28-,29-,30+,31-,32+/m1/s1.
What are the key properties of [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane?
[(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane has a molecular weight of 527.86 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,4S,6R,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane is sourced from PubChem (CID 71713269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).