(Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid

C28H50O6Si — CID 70527030

About (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid

(Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid (PubChem CID 70527030) has the molecular formula C28H50O6Si and a molecular weight of 510.79 g/mol. Its IUPAC name is (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid.

Molecular Properties

• Compound Name: (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid
• PubChem CID: 70527030
• Molecular Formula: C28H50O6Si
• Molecular Weight: 510.79 g/mol
• Exact Mass: 510.34
• IUPAC Name: (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid
• SMILES: COC(=O)C/C=C/C[C@@H](O)[C@](/C=C\CCCCCCO[Si](C)(C)C(C)(C)C)(C(=O)O)C1CCCC1
• InChI: InChI=1S/C28H50O6Si/c1-27(2,3)35(5,6)34-22-16-10-8-7-9-15-21-28(26(31)32,23-17-11-12-18-23)24(29)19-13-14-20-25(30)33-4/h13-15,21,23-24,29H,7-12,16-20,22H2,1-6H3,(H,31,32)/b14-13+,21-15-/t24-,28-/m1/s1
• InChIKey: DVYQHFZSEGBNSA-SAQBRDLWSA-N
• XLogP: 6.65
• TPSA: 93.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.79
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
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,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid?

The IUPAC name of (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid (CID 70527030) is (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid.

What is the SMILES notation for (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid?

The canonical SMILES for (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid is COC(=O)C/C=C/C[C@@H](O)[C@](/C=C\CCCCCCO[Si](C)(C)C(C)(C)C)(C(=O)O)C1CCCC1.

What is the InChIKey of (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid?

The InChIKey is DVYQHFZSEGBNSA-SAQBRDLWSA-N. The full InChI is InChI=1S/C28H50O6Si/c1-27(2,3)35(5,6)34-22-16-10-8-7-9-15-21-28(26(31)32,23-17-11-12-18-23)24(29)19-13-14-20-25(30)33-4/h13-15,21,23-24,29H,7-12,16-20,22H2,1-6H3,(H,31,32)/b14-13+,21-15-/t24-,28-/m1/s1.

What are the key properties of (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid?

(Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid has a molecular weight of 510.79 g/mol, XLogP of 6.65, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,2S)-10-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-2-[(E,1R)-1-hydroxy-6-methoxy-6-oxohex-3-enyl]dec-3-enoic acid is sourced from PubChem (CID 70527030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).