(4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one

C20H36O2Si — CID 174150569

About (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one

(4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one (PubChem CID 174150569) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one.

Molecular Properties

• Compound Name: (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one
• PubChem CID: 174150569
• Molecular Formula: C20H36O2Si
• Molecular Weight: 336.59 g/mol
• Exact Mass: 336.25
• IUPAC Name: (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one
• SMILES: C/C(=C\CCCCO[Si](C)(C)C(C)(C)C)CC1=C[C@H](C)CC1=O
• InChI: InChI=1S/C20H36O2Si/c1-16(13-18-14-17(2)15-19(18)21)11-9-8-10-12-22-23(6,7)20(3,4)5/h11,14,17H,8-10,12-13,15H2,1-7H3/b16-11+/t17-/m0/s1
• InChIKey: ZKXBKWSJIRNCHR-YTBHAWNYSA-N
• XLogP: 6.05
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.59
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one?

The IUPAC name of (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one (CID 174150569) is (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one.

What is the SMILES notation for (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one?

The canonical SMILES for (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one is C/C(=C\CCCCO[Si](C)(C)C(C)(C)C)CC1=C[C@H](C)CC1=O.

What is the InChIKey of (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one?

The InChIKey is ZKXBKWSJIRNCHR-YTBHAWNYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-16(13-18-14-17(2)15-19(18)21)11-9-8-10-12-22-23(6,7)20(3,4)5/h11,14,17H,8-10,12-13,15H2,1-7H3/b16-11+/t17-/m0/s1.

What are the key properties of (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one?

(4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one has a molecular weight of 336.59 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[(E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enyl]-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 174150569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).