[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane

C35H57NO4Si — CID 11180771

IUPAC[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1/C(=C/[C@H](C)C/C=C(\C)[C@H]2OC(C)(C)O[C@@H]2C)CN2CCC[C@H]2[C@@]1(C)OCc1ccccc1
InChIInChI=1S/C35H57NO4Si/c1-10-41(11-2,12-3)40-33-30(23-26(4)20-21-27(5)32-28(6)38-34(7,8)39-32)24-36-22-16-19-31(36)35(33,9)37-25-29-17-14-13-15-18-29/h13-15,17-18,21,23,26,28,31-33H,10-12,16,19-20,22,24-25H2,1-9H3/b27-21+,30-23+/t26-,28-,31+,32-,33-,35-/m1/s1
InChIKeyMXZRXXKKOVCLHF-FGCWCVACSA-N
MW583.93 g/mol
LogP8.27
Rot. Bonds12

About [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane

[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane (PubChem CID 11180771) has the molecular formula C35H57NO4Si and a molecular weight of 583.93 g/mol. Its IUPAC name is [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane
PubChem CID11180771
Molecular FormulaC35H57NO4Si
Molecular Weight583.93 g/mol
Exact Mass583.41
IUPAC Name[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1/C(=C/[C@H](C)C/C=C(\C)[C@H]2OC(C)(C)O[C@@H]2C)CN2CCC[C@H]2[C@@]1(C)OCc1ccccc1
InChIInChI=1S/C35H57NO4Si/c1-10-41(11-2,12-3)40-33-30(23-26(4)20-21-27(5)32-28(6)38-34(7,8)39-32)24-36-22-16-19-31(36)35(33,9)37-25-29-17-14-13-15-18-29/h13-15,17-18,21,23,26,28,31-33H,10-12,16,19-20,22,24-25H2,1-9H3/b27-21+,30-23+/t26-,28-,31+,32-,33-,35-/m1/s1
InChIKeyMXZRXXKKOVCLHF-FGCWCVACSA-N
XLogP8.27
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.93
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane 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)-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
[8-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane
CID 20513798
[(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
(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol
CID 11812703
(3R,4R,4aS)-4-methyl-3-[(E,3R)-3-methyl-6-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hept-5-en-1-ynyl]-4-phenylmethoxy-1,3,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazine
CID 15119747
(6Z,7R,8R,8aS)-6-[(E,2R)-1-iodo-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-methyl-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol
CID 15286464
benzyl (3aR,4R,7R,7aS)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 134877439
benzyl (3aR,4R,6R,7S,7aS)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-6-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 134923928
tert-butyl-[[(4S,6S)-6-[(2R,4R)-4-[(4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]pentan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 135012008
(3aR,9R,9aR,9bS)-2,2-dimethyl-9-phenylmethoxy-3a,4,6,7,8,9,9a,9b-octahydro-[1,3]dioxolo[4,5-a]indolizine
CID 10402736
[(3aR,8S,8aR,9R,9aR)-2,2-dimethyl-8-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-9-yl]oxy-tri(propan-2-yl)silane
CID 101419344

Frequently Asked Questions

What is the IUPAC name of [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane?
The IUPAC name of [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane (CID 11180771) is [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane.
What is the SMILES notation for [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane?
The canonical SMILES for [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1/C(=C/[C@H](C)C/C=C(\C)[C@H]2OC(C)(C)O[C@@H]2C)CN2CCC[C@H]2[C@@]1(C)OCc1ccccc1.
What is the InChIKey of [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane?
The InChIKey is MXZRXXKKOVCLHF-FGCWCVACSA-N. The full InChI is InChI=1S/C35H57NO4Si/c1-10-41(11-2,12-3)40-33-30(23-26(4)20-21-27(5)32-28(6)38-34(7,8)39-32)24-36-22-16-19-31(36)35(33,9)37-25-29-17-14-13-15-18-29/h13-15,17-18,21,23,26,28,31-33H,10-12,16,19-20,22,24-25H2,1-9H3/b27-21+,30-23+/t26-,28-,31+,32-,33-,35-/m1/s1.
What are the key properties of [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane?
[(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane has a molecular weight of 583.93 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,7R,8R,8aS)-8-methyl-6-[(E,2R)-2-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-4-enylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-yl]oxy-triethylsilane is sourced from PubChem (CID 11180771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).