(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide

C32H67NO6SiSn — CID 11193359

IUPAC(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide
SMILESCCCC[Sn](/C=C/C[C@@H](C[C@@H](CC(=O)N(C)OC)OCOCCOC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C20H40NO6Si.3C4H9.Sn/c1-10-11-17(27-28(8,9)20(2,3)4)14-18(15-19(22)21(5)24-7)26-16-25-13-12-23-6;3*1-3-4-2;/h1,10,17-18H,11-16H2,2-9H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m0..../s1
InChIKeyJQJLZCHJJKOPEK-WSNGVDDISA-N
MW708.69 g/mol
LogP8.52
Rot. Bonds25

About (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide

(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide (PubChem CID 11193359) has the molecular formula C32H67NO6SiSn and a molecular weight of 708.69 g/mol. Its IUPAC name is (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide.

Molecular Properties

Compound Name(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide
PubChem CID11193359
Molecular FormulaC32H67NO6SiSn
Molecular Weight708.69 g/mol
Exact Mass709.38
IUPAC Name(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide
SMILESCCCC[Sn](/C=C/C[C@@H](C[C@@H](CC(=O)N(C)OC)OCOCCOC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C20H40NO6Si.3C4H9.Sn/c1-10-11-17(27-28(8,9)20(2,3)4)14-18(15-19(22)21(5)24-7)26-16-25-13-12-23-6;3*1-3-4-2;/h1,10,17-18H,11-16H2,2-9H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m0..../s1
InChIKeyJQJLZCHJJKOPEK-WSNGVDDISA-N
XLogP8.52
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.69
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide?
The IUPAC name of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide (CID 11193359) is (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide.
What is the SMILES notation for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide?
The canonical SMILES for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide is CCCC[Sn](/C=C/C[C@@H](C[C@@H](CC(=O)N(C)OC)OCOCCOC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide?
The InChIKey is JQJLZCHJJKOPEK-WSNGVDDISA-N. The full InChI is InChI=1S/C20H40NO6Si.3C4H9.Sn/c1-10-11-17(27-28(8,9)20(2,3)4)14-18(15-19(22)21(5)24-7)26-16-25-13-12-23-6;3*1-3-4-2;/h1,10,17-18H,11-16H2,2-9H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m0..../s1.
What are the key properties of (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide?
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide has a molecular weight of 708.69 g/mol, XLogP of 8.52, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3-(2-methoxyethoxymethoxy)-N-methyl-8-tributylstannyloct-7-enamide is sourced from PubChem (CID 11193359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).