(Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid

C29H56O5Si3 — CID 6439878

About (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid

(Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid (PubChem CID 6439878) has the molecular formula C29H56O5Si3 and a molecular weight of 569.02 g/mol. Its IUPAC name is (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
• PubChem CID: 6439878
• Molecular Formula: C29H56O5Si3
• Molecular Weight: 569.02 g/mol
• Exact Mass: 568.34
• IUPAC Name: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
• SMILES: CCCCC[C@@H](/C=C/[C@@H]1C(C/C=C\CCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C29H56O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-26-25(19-16-13-14-17-20-29(30)31)27(33-36(5,6)7)23-28(26)34-37(8,9)10/h13,16,21-22,24,26,28H,11-12,14-15,17-20,23H2,1-10H3,(H,30,31)/b16-13-,22-21+/t24-,26+,28+/m0/s1
• InChIKey: PRCBNNYAGSXBRK-NXKCVCBJSA-N
• XLogP: 8.89
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.02
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid?

The IUPAC name of (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid (CID 6439878) is (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid.

What is the SMILES notation for (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid?

The canonical SMILES for (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid is CCCCC[C@@H](/C=C/[C@@H]1C(C/C=C\CCCC(=O)O)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid?

The InChIKey is PRCBNNYAGSXBRK-NXKCVCBJSA-N. The full InChI is InChI=1S/C29H56O5Si3/c1-11-12-15-18-24(32-35(2,3)4)21-22-26-25(19-16-13-14-17-20-29(30)31)27(33-36(5,6)7)23-28(26)34-37(8,9)10/h13,16,21-22,24,26,28H,11-12,14-15,17-20,23H2,1-10H3,(H,30,31)/b16-13-,22-21+/t24-,26+,28+/m0/s1.

What are the key properties of (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid?

(Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid has a molecular weight of 569.02 g/mol, XLogP of 8.89, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid is sourced from PubChem (CID 6439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).