(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one

C23H40O2Si — CID 154720048

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one (PubChem CID 154720048) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one.

Molecular Properties

• Compound Name: (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one
• PubChem CID: 154720048
• Molecular Formula: C23H40O2Si
• Molecular Weight: 376.66 g/mol
• Exact Mass: 376.28
• IUPAC Name: (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one
• SMILES: C=C[C@](C)(CCC=C(C)C)CC1=CC(=O)C[C@@]1(C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H40O2Si/c1-11-22(7,14-12-13-18(2)3)16-19-15-20(24)17-23(19,8)25-26(9,10)21(4,5)6/h11,13,15H,1,12,14,16-17H2,2-10H3/t22-,23-/m1/s1
• InChIKey: YRCBWUARMFJXOD-DHIUTWEWSA-N
• XLogP: 6.99
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.66
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one?

The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one (CID 154720048) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one.

What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one?

The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one is C=C[C@](C)(CCC=C(C)C)CC1=CC(=O)C[C@@]1(C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one?

The InChIKey is YRCBWUARMFJXOD-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-11-22(7,14-12-13-18(2)3)16-19-15-20(24)17-23(19,8)25-26(9,10)21(4,5)6/h11,13,15H,1,12,14,16-17H2,2-10H3/t22-,23-/m1/s1.

What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one?

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one has a molecular weight of 376.66 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-ethenyl-2,6-dimethylhept-5-enyl]-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 154720048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).