[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane

C23H43IO3Si — CID 101207677

About [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane

[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane (PubChem CID 101207677) has the molecular formula C23H43IO3Si and a molecular weight of 522.58 g/mol. Its IUPAC name is [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane
• PubChem CID: 101207677
• Molecular Formula: C23H43IO3Si
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.20
• IUPAC Name: [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane
• SMILES: CCCCCC/C=C/[Si](O[C@H]1C=C[C@@H](OC(CI)OCC)C1)(C(C)C)C(C)C
• InChI: InChI=1S/C23H43IO3Si/c1-7-9-10-11-12-13-16-28(19(3)4,20(5)6)27-22-15-14-21(17-22)26-23(18-24)25-8-2/h13-16,19-23H,7-12,17-18H2,1-6H3/b16-13+/t21-,22+,23?/m1/s1
• InChIKey: XNUITASBWKZFFX-VKYPPARMSA-N
• XLogP: 7.35
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.58
LogP ≤ 5	7.35
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane?

The IUPAC name of [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane (CID 101207677) is [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane.

What is the SMILES notation for [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane?

The canonical SMILES for [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane is CCCCCC/C=C/[Si](O[C@H]1C=C[C@@H](OC(CI)OCC)C1)(C(C)C)C(C)C.

What is the InChIKey of [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane?

The InChIKey is XNUITASBWKZFFX-VKYPPARMSA-N. The full InChI is InChI=1S/C23H43IO3Si/c1-7-9-10-11-12-13-16-28(19(3)4,20(5)6)27-22-15-14-21(17-22)26-23(18-24)25-8-2/h13-16,19-23H,7-12,17-18H2,1-6H3/b16-13+/t21-,22+,23?/m1/s1.

What are the key properties of [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane?

[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane has a molecular weight of 522.58 g/mol, XLogP of 7.35, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-[(E)-oct-1-enyl]-di(propan-2-yl)silane is sourced from PubChem (CID 101207677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).