6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide

C28H59NO5Si2 — CID 141267898

About 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide

6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide (PubChem CID 141267898) has the molecular formula C28H59NO5Si2 and a molecular weight of 545.95 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide.

Molecular Properties

• Compound Name: 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide
• PubChem CID: 141267898
• Molecular Formula: C28H59NO5Si2
• Molecular Weight: 545.95 g/mol
• Exact Mass: 545.39
• IUPAC Name: 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide
• SMILES: CC(C(N)=O)=C(CC(O)COCCC[Si](C)(C)C(C)(C)C)CC(O)COCCC[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H59NO5Si2/c1-22(26(29)32)23(18-24(30)20-33-14-12-16-35(8,9)27(2,3)4)19-25(31)21-34-15-13-17-36(10,11)28(5,6)7/h24-25,30-31H,12-21H2,1-11H3,(H2,29,32)
• InChIKey: JVIIJQMZPKESHM-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 102.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.95
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide?

The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide (CID 141267898) is 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide.

What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide?

The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide is CC(C(N)=O)=C(CC(O)COCCC[Si](C)(C)C(C)(C)C)CC(O)COCCC[Si](C)(C)C(C)(C)C.

What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide?

The InChIKey is JVIIJQMZPKESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO5Si2/c1-22(26(29)32)23(18-24(30)20-33-14-12-16-35(8,9)27(2,3)4)19-25(31)21-34-15-13-17-36(10,11)28(5,6)7/h24-25,30-31H,12-21H2,1-11H3,(H2,29,32).

What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide?

6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide has a molecular weight of 545.95 g/mol, XLogP of 6.12, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[tert-butyl(dimethyl)silyl]propoxy]-3-[3-[3-[tert-butyl(dimethyl)silyl]propoxy]-2-hydroxypropyl]-5-hydroxy-2-methylhex-2-enamide is sourced from PubChem (CID 141267898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).