[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane

C23H39IOSi — CID 146168334

About [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane

[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane (PubChem CID 146168334) has the molecular formula C23H39IOSi and a molecular weight of 486.55 g/mol. Its IUPAC name is [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane
• PubChem CID: 146168334
• Molecular Formula: C23H39IOSi
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.18
• IUPAC Name: [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane
• SMILES: C=C(I)CC[C@@H](O[Si](C)(C)C)[C@]1(C)CC[C@@H]2C1=C[C@@]1(C)CCC(C)(C)[C@@H]21
• InChI: InChI=1S/C23H39IOSi/c1-16(24)9-10-19(25-26(6,7)8)23(5)12-11-17-18(23)15-22(4)14-13-21(2,3)20(17)22/h15,17,19-20H,1,9-14H2,2-8H3/t17-,19-,20-,22-,23-/m1/s1
• InChIKey: WRYJTVXOFQQYNU-HURHVGRMSA-N
• XLogP: 7.73
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane?

The IUPAC name of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane (CID 146168334) is [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane.

What is the SMILES notation for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane?

The canonical SMILES for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane is C=C(I)CC[C@@H](O[Si](C)(C)C)[C@]1(C)CC[C@@H]2C1=C[C@@]1(C)CCC(C)(C)[C@@H]21.

What is the InChIKey of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane?

The InChIKey is WRYJTVXOFQQYNU-HURHVGRMSA-N. The full InChI is InChI=1S/C23H39IOSi/c1-16(24)9-10-19(25-26(6,7)8)23(5)12-11-17-18(23)15-22(4)14-13-21(2,3)20(17)22/h15,17,19-20H,1,9-14H2,2-8H3/t17-,19-,20-,22-,23-/m1/s1.

What are the key properties of [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane?

[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane has a molecular weight of 486.55 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane is sourced from PubChem (CID 146168334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).