ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate

C29H54O5Si — CID 10973259

About ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate

ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate (PubChem CID 10973259) has the molecular formula C29H54O5Si and a molecular weight of 510.83 g/mol. Its IUPAC name is ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate.

Molecular Properties

• Compound Name: ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate
• PubChem CID: 10973259
• Molecular Formula: C29H54O5Si
• Molecular Weight: 510.83 g/mol
• Exact Mass: 510.37
• IUPAC Name: ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate
• SMILES: CC/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\CCCCCCCC(=O)OCC
• InChI: InChI=1S/C29H54O5Si/c1-10-12-18-22-25(34-35(8,9)28(3,4)5)27-24(32-29(6,7)33-27)21-19-16-14-13-15-17-20-23-26(30)31-11-2/h12,18-19,21,24-25,27H,10-11,13-17,20,22-23H2,1-9H3/b18-12-,21-19-/t24-,25-,27+/m1/s1
• InChIKey: QGSFLCVEYSNBMZ-HKMKBMKASA-N
• XLogP: 8.10
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.83
LogP ≤ 5	8.10
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 (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate?

The IUPAC name of ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate (CID 10973259) is ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate.

What is the SMILES notation for ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate?

The canonical SMILES for ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate is CC/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\CCCCCCCC(=O)OCC.

What is the InChIKey of ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate?

The InChIKey is QGSFLCVEYSNBMZ-HKMKBMKASA-N. The full InChI is InChI=1S/C29H54O5Si/c1-10-12-18-22-25(34-35(8,9)28(3,4)5)27-24(32-29(6,7)33-27)21-19-16-14-13-15-17-20-23-26(30)31-11-2/h12,18-19,21,24-25,27H,10-11,13-17,20,22-23H2,1-9H3/b18-12-,21-19-/t24-,25-,27+/m1/s1.

What are the key properties of ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate?

ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate has a molecular weight of 510.83 g/mol, XLogP of 8.10, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z)-10-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]dec-9-enoate is sourced from PubChem (CID 10973259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).