(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C29H41NO2Si — CID 10895879

IUPAC(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO2Si/c1-23(19-24-20-29(5,31)27-17-12-18-30(27)21-24)22-32-33(28(2,3)4,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-11,13-16,19,23,27,31H,12,17-18,20-22H2,1-5H3/b24-19-/t23-,27-,29-/m0/s1
InChIKeyDMMMYASUUUXHCL-GRWKFTGQSA-N
MW463.74 g/mol
LogP4.74
Rot. Bonds6

About (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 10895879) has the molecular formula C29H41NO2Si and a molecular weight of 463.74 g/mol. Its IUPAC name is (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID10895879
Molecular FormulaC29H41NO2Si
Molecular Weight463.74 g/mol
Exact Mass463.29
IUPAC Name(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO2Si/c1-23(19-24-20-29(5,31)27-17-12-18-30(27)21-24)22-32-33(28(2,3)4,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-11,13-16,19,23,27,31H,12,17-18,20-22H2,1-5H3/b24-19-/t23-,27-,29-/m0/s1
InChIKeyDMMMYASUUUXHCL-GRWKFTGQSA-N
XLogP4.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.74
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 11767016
(1S)-1-[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-[methyl(diphenyl)silyl]ethanol
CID 174098052
[(E)-4-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 11510637
[(Z)-4-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 57338309
(3aR,9aR,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356411
(3aR,9aS,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356413
[(E)-4-[(5S,8R,8aS)-8-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 101384940

Frequently Asked Questions

What is the IUPAC name of (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 10895879) is (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is C[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is DMMMYASUUUXHCL-GRWKFTGQSA-N. The full InChI is InChI=1S/C29H41NO2Si/c1-23(19-24-20-29(5,31)27-17-12-18-30(27)21-24)22-32-33(28(2,3)4,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-11,13-16,19,23,27,31H,12,17-18,20-22H2,1-5H3/b24-19-/t23-,27-,29-/m0/s1.
What are the key properties of (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 463.74 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 10895879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).