methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate

C30H54O5Si — CID 10481862

About methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate

methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate (PubChem CID 10481862) has the molecular formula C30H54O5Si and a molecular weight of 522.84 g/mol. Its IUPAC name is methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate.

Molecular Properties

• Compound Name: methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate
• PubChem CID: 10481862
• Molecular Formula: C30H54O5Si
• Molecular Weight: 522.84 g/mol
• Exact Mass: 522.37
• IUPAC Name: methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate
• SMILES: CCCCC/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\C/C=C\CCCC(=O)OC
• InChI: InChI=1S/C30H54O5Si/c1-10-11-12-13-16-20-23-26(35-36(8,9)29(2,3)4)28-25(33-30(5,6)34-28)22-19-17-14-15-18-21-24-27(31)32-7/h14-16,19-20,22,25-26,28H,10-13,17-18,21,23-24H2,1-9H3/b15-14-,20-16-,22-19-/t25-,26-,28+/m1/s1
• InChIKey: XCGFEZPYRCWPFQ-URALFQFBSA-N
• XLogP: 8.27
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.84
LogP ≤ 5	8.27
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 methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate?

The IUPAC name of methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate (CID 10481862) is methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate.

What is the SMILES notation for methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate?

The canonical SMILES for methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate is CCCCC/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\C/C=C\CCCC(=O)OC.

What is the InChIKey of methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate?

The InChIKey is XCGFEZPYRCWPFQ-URALFQFBSA-N. The full InChI is InChI=1S/C30H54O5Si/c1-10-11-12-13-16-20-23-26(35-36(8,9)29(2,3)4)28-25(33-30(5,6)34-28)22-19-17-14-15-18-21-24-27(31)32-7/h14-16,19-20,22,25-26,28H,10-13,17-18,21,23-24H2,1-9H3/b15-14-,20-16-,22-19-/t25-,26-,28+/m1/s1.

What are the key properties of methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate?

methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate has a molecular weight of 522.84 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate is sourced from PubChem (CID 10481862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).