ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate

C29H56O5Si — CID 10505943

About ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate

ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate (PubChem CID 10505943) has the molecular formula C29H56O5Si and a molecular weight of 512.85 g/mol. Its IUPAC name is ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate.

Molecular Properties

• Compound Name: ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate
• PubChem CID: 10505943
• Molecular Formula: C29H56O5Si
• Molecular Weight: 512.85 g/mol
• Exact Mass: 512.39
• IUPAC Name: ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate
• SMILES: CCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@@H](C)C(=O)OCC)C1(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H56O5Si/c1-14-16-17-18-23(34-35(12,13)27(5,6)7)20-19-21(3)24-28(8,9)25(33-29(10,11)32-24)22(4)26(30)31-15-2/h19,22-25H,14-18,20H2,1-13H3/b21-19+/t22-,23-,24-,25+/m1/s1
• InChIKey: QULINTVLUVZSRU-USYFOGOPSA-N
• XLogP: 8.04
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.85
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate?

The IUPAC name of ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate (CID 10505943) is ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate.

What is the SMILES notation for ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate?

The canonical SMILES for ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate is CCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@@H](C)C(=O)OCC)C1(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate?

The InChIKey is QULINTVLUVZSRU-USYFOGOPSA-N. The full InChI is InChI=1S/C29H56O5Si/c1-14-16-17-18-23(34-35(12,13)27(5,6)7)20-19-21(3)24-28(8,9)25(33-29(10,11)32-24)22(4)26(30)31-15-2/h19,22-25H,14-18,20H2,1-13H3/b21-19+/t22-,23-,24-,25+/m1/s1.

What are the key properties of ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate?

ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate has a molecular weight of 512.85 g/mol, XLogP of 8.04, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2R)-2-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]propanoate is sourced from PubChem (CID 10505943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).