tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane

C24H43IO3Si — CID 11763205

About tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane (PubChem CID 11763205) has the molecular formula C24H43IO3Si and a molecular weight of 534.60 g/mol. Its IUPAC name is tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
• PubChem CID: 11763205
• Molecular Formula: C24H43IO3Si
• Molecular Weight: 534.60 g/mol
• Exact Mass: 534.20
• IUPAC Name: tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
• SMILES: C[C@H](CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\I)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H43IO3Si/c1-20(28-29(7,8)23(2,3)4)15-12-10-9-11-13-16-21-19-22(17-14-18-25)27-24(5,6)26-21/h9,11,13-14,16,18,20-22H,10,12,15,17,19H2,1-8H3/b11-9+,16-13+,18-14-/t20-,21+,22+/m1/s1
• InChIKey: PUCNFXSEQGBCAL-SRDXSQLLSA-N
• XLogP: 7.93
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.60
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane (CID 11763205) is tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane is C[C@H](CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\I)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane?

The InChIKey is PUCNFXSEQGBCAL-SRDXSQLLSA-N. The full InChI is InChI=1S/C24H43IO3Si/c1-20(28-29(7,8)23(2,3)4)15-12-10-9-11-13-16-21-19-22(17-14-18-25)27-24(5,6)26-21/h9,11,13-14,16,18,20-22H,10,12,15,17,19H2,1-8H3/b11-9+,16-13+,18-14-/t20-,21+,22+/m1/s1.

What are the key properties of tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane?

tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane has a molecular weight of 534.60 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11763205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).