(Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid

C36H66O6Si2 — CID 70273382

About (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 70273382) has the molecular formula C36H66O6Si2 and a molecular weight of 651.09 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
• PubChem CID: 70273382
• Molecular Formula: C36H66O6Si2
• Molecular Weight: 651.09 g/mol
• Exact Mass: 650.44
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
• SMILES: CCC1(C(C/C=C/[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H](OC(C)=O)C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC1
• InChI: InChI=1S/C36H66O6Si2/c1-13-36(24-19-25-36)32(42-44(11,12)35(6,7)8)22-18-21-29-28(20-16-14-15-17-23-33(38)39)30(40-27(2)37)26-31(29)41-43(9,10)34(3,4)5/h14,16,18,21,28-32H,13,15,17,19-20,22-26H2,1-12H3,(H,38,39)/b16-14-,21-18+/t28-,29-,30+,31-,32?/m1/s1
• InChIKey: FRMVFTCRCOHBTD-SRHVPXMDSA-N
• XLogP: 10.06
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.09
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	1
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 (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid?

The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid (CID 70273382) is (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid.

What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid?

The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid is CCC1(C(C/C=C/[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H](OC(C)=O)C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CCC1.

What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid?

The InChIKey is FRMVFTCRCOHBTD-SRHVPXMDSA-N. The full InChI is InChI=1S/C36H66O6Si2/c1-13-36(24-19-25-36)32(42-44(11,12)35(6,7)8)22-18-21-29-28(20-16-14-15-17-23-33(38)39)30(40-27(2)37)26-31(29)41-43(9,10)34(3,4)5/h14,16,18,21,28-32H,13,15,17,19-20,22-26H2,1-12H3,(H,38,39)/b16-14-,21-18+/t28-,29-,30+,31-,32?/m1/s1.

What are the key properties of (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid?

(Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 651.09 g/mol, XLogP of 10.06, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70273382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).