[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane

C38H45NO3Si — CID 11307843

IUPAC[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]2CCCN12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H45NO3Si/c1-38(2,3)43(32-21-12-6-13-22-32,33-23-14-7-15-24-33)42-29-35-37(41-28-31-19-10-5-11-20-31)36(34-25-16-26-39(34)35)40-27-30-17-8-4-9-18-30/h4-15,17-24,34-37H,16,25-29H2,1-3H3/t34-,35+,36+,37+/m0/s1
InChIKeyJLKYTOYXBFVCPO-UPIAJAFBSA-N
MW591.87 g/mol
LogP6.58
Rot. Bonds11

About [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane

[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11307843) has the molecular formula C38H45NO3Si and a molecular weight of 591.87 g/mol. Its IUPAC name is [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11307843
Molecular FormulaC38H45NO3Si
Molecular Weight591.87 g/mol
Exact Mass591.32
IUPAC Name[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]2CCCN12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H45NO3Si/c1-38(2,3)43(32-21-12-6-13-22-32,33-23-14-7-15-24-33)42-29-35-37(41-28-31-19-10-5-11-20-31)36(34-25-16-26-39(34)35)40-27-30-17-8-4-9-18-30/h4-15,17-24,34-37H,16,25-29H2,1-3H3/t34-,35+,36+,37+/m0/s1
InChIKeyJLKYTOYXBFVCPO-UPIAJAFBSA-N
XLogP6.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.87
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

tert-butyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11296899
[(5R,6R,7S)-6,7-bis(phenylmethoxy)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 10929996
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
[(4aS,7R,7aS)-1-benzyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-7-yl]methoxy-tert-butyl-diphenylsilane
CID 72722960
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 140904839
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane (CID 11307843) is [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]2CCCN12)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is JLKYTOYXBFVCPO-UPIAJAFBSA-N. The full InChI is InChI=1S/C38H45NO3Si/c1-38(2,3)43(32-21-12-6-13-22-32,33-23-14-7-15-24-33)42-29-35-37(41-28-31-19-10-5-11-20-31)36(34-25-16-26-39(34)35)40-27-30-17-8-4-9-18-30/h4-15,17-24,34-37H,16,25-29H2,1-3H3/t34-,35+,36+,37+/m0/s1.
What are the key properties of [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane?
[(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 591.87 g/mol, XLogP of 6.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,8S)-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11307843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).