[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane

C32H53NO2Si — CID 11113957

IUPAC[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](OCc1ccccc1)/C(C)=C/C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H53NO2Si/c1-10-29(34-24-27-15-12-11-13-16-27)26(3)19-18-25(2)21-28-22-32(7,30-17-14-20-33(30)23-28)35-36(8,9)31(4,5)6/h11-13,15-16,19,21,25,29-30H,10,14,17-18,20,22-24H2,1-9H3/b26-19+,28-21-/t25-,29+,30+,32+/m1/s1
InChIKeyLSVUBLCQJKEQBA-RTGAZLORSA-N
MW511.87 g/mol
LogP8.53
Rot. Bonds10

About [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane

[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11113957) has the molecular formula C32H53NO2Si and a molecular weight of 511.87 g/mol. Its IUPAC name is [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11113957
Molecular FormulaC32H53NO2Si
Molecular Weight511.87 g/mol
Exact Mass511.38
IUPAC Name[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](OCc1ccccc1)/C(C)=C/C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H53NO2Si/c1-10-29(34-24-27-15-12-11-13-16-27)26(3)19-18-25(2)21-28-22-32(7,30-17-14-20-33(30)23-28)35-36(8,9)31(4,5)6/h11-13,15-16,19,21,25,29-30H,10,14,17-18,20,22-24H2,1-9H3/b26-19+,28-21-/t25-,29+,30+,32+/m1/s1
InChIKeyLSVUBLCQJKEQBA-RTGAZLORSA-N
XLogP8.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.87
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol
CID 5470307
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyl-4-phenylmethoxybutylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921282
[(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane
CID 11027109
(2S,3R,5S)-3-methyl-2-phenyl-5-propyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 134881812
3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 135070257
trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane
CID 135075829
[(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
(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13997221
tert-butyl-dimethyl-[(3S,5R)-1-methyl-5-(phenylmethoxymethyl)pyrrolidin-3-yl]oxysilane
CID 57918755
6-O-benzyl 1-O-tert-butyl 3-[2-tri(propan-2-yl)silyloxyethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylate;methane
CID 157570600
Tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane
CID 171838026
5,8a-Dimethyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 264844

Frequently Asked Questions

What is the IUPAC name of [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane (CID 11113957) is [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane is CC[C@H](OCc1ccccc1)/C(C)=C/C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LSVUBLCQJKEQBA-RTGAZLORSA-N. The full InChI is InChI=1S/C32H53NO2Si/c1-10-29(34-24-27-15-12-11-13-16-27)26(3)19-18-25(2)21-28-22-32(7,30-17-14-20-33(30)23-28)35-36(8,9)31(4,5)6/h11-13,15-16,19,21,25,29-30H,10,14,17-18,20,22-24H2,1-9H3/b26-19+,28-21-/t25-,29+,30+,32+/m1/s1.
What are the key properties of [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane?
[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 511.87 g/mol, XLogP of 8.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11113957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).