dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane

C31H37NO3Si — CID 78155903

IUPACdimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane
SMILESC[Si](C)(CC1C2OC(c3ccccc3)OC2C2CCC(COCc3ccccc3)N21)c1ccccc1
InChIInChI=1S/C31H37NO3Si/c1-36(2,26-16-10-5-11-17-26)22-28-30-29(34-31(35-30)24-14-8-4-9-15-24)27-19-18-25(32(27)28)21-33-20-23-12-6-3-7-13-23/h3-17,25,27-31H,18-22H2,1-2H3
InChIKeyKISORFAXYJPPKK-UHFFFAOYSA-N
MW499.73 g/mol
LogP5.52
Rot. Bonds8

About dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane

dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane (PubChem CID 78155903) has the molecular formula C31H37NO3Si and a molecular weight of 499.73 g/mol. Its IUPAC name is dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane
PubChem CID78155903
Molecular FormulaC31H37NO3Si
Molecular Weight499.73 g/mol
Exact Mass499.25
IUPAC Namedimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane
SMILESC[Si](C)(CC1C2OC(c3ccccc3)OC2C2CCC(COCc3ccccc3)N21)c1ccccc1
InChIInChI=1S/C31H37NO3Si/c1-36(2,26-16-10-5-11-17-26)22-28-30-29(34-31(35-30)24-14-8-4-9-15-24)27-19-18-25(32(27)28)21-33-20-23-12-6-3-7-13-23/h3-17,25,27-31H,18-22H2,1-2H3
InChIKeyKISORFAXYJPPKK-UHFFFAOYSA-N
XLogP5.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.73
LogP ≤ 55.52
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 dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane?
The IUPAC name of dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane (CID 78155903) is dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane.
What is the SMILES notation for dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane?
The canonical SMILES for dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane is C[Si](C)(CC1C2OC(c3ccccc3)OC2C2CCC(COCc3ccccc3)N21)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane?
The InChIKey is KISORFAXYJPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO3Si/c1-36(2,26-16-10-5-11-17-26)22-28-30-29(34-31(35-30)24-14-8-4-9-15-24)27-19-18-25(32(27)28)21-33-20-23-12-6-3-7-13-23/h3-17,25,27-31H,18-22H2,1-2H3.
What are the key properties of dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane?
dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane has a molecular weight of 499.73 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[[2-phenyl-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl]silane is sourced from PubChem (CID 78155903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).