(E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine

C36H58N2O3Si2 — CID 11215736

About (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine

(E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine (PubChem CID 11215736) has the molecular formula C36H58N2O3Si2 and a molecular weight of 623.04 g/mol. Its IUPAC name is (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine.

Molecular Properties

• Compound Name: (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine
• PubChem CID: 11215736
• Molecular Formula: C36H58N2O3Si2
• Molecular Weight: 623.04 g/mol
• Exact Mass: 622.40
• IUPAC Name: (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine
• SMILES: COC[C@@H]1CCCN1/N=C/CC/C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C36H58N2O3Si2/c1-30(27-40-42(9,10)35(2,3)4)31(19-17-25-37-38-26-18-20-32(38)29-39-8)28-41-43(36(5,6)7,33-21-13-11-14-22-33)34-23-15-12-16-24-34/h11-16,21-25,32H,17-20,26-29H2,1-10H3/b31-30+,37-25+/t32-/m0/s1
• InChIKey: XWJVECNIIJLOQF-DADUBACJSA-N
• XLogP: 7.78
• TPSA: 43.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.04
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine?

The IUPAC name of (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine (CID 11215736) is (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine.

What is the SMILES notation for (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine?

The canonical SMILES for (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine is COC[C@@H]1CCCN1/N=C/CC/C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine?

The InChIKey is XWJVECNIIJLOQF-DADUBACJSA-N. The full InChI is InChI=1S/C36H58N2O3Si2/c1-30(27-40-42(9,10)35(2,3)4)31(19-17-25-37-38-26-18-20-32(38)29-39-8)28-41-43(36(5,6)7,33-21-13-11-14-22-33)34-23-15-12-16-24-34/h11-16,21-25,32H,17-20,26-29H2,1-10H3/b31-30+,37-25+/t32-/m0/s1.

What are the key properties of (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine?

(E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine has a molecular weight of 623.04 g/mol, XLogP of 7.78, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine is sourced from PubChem (CID 11215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).