(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one

C24H48O3Si2 — CID 13216820

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one (PubChem CID 13216820) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one.

Molecular Properties

• Compound Name: (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one
• PubChem CID: 13216820
• Molecular Formula: C24H48O3Si2
• Molecular Weight: 440.82 g/mol
• Exact Mass: 440.31
• IUPAC Name: (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H48O3Si2/c1-23(2,3)28(7,8)26-17-15-13-11-12-14-16-20-18-21(25)19-22(20)27-29(9,10)24(4,5)6/h18,22H,11-17,19H2,1-10H3/t22-/m0/s1
• InChIKey: OFMRIAGZCRKNBN-QFIPXVFZSA-N
• XLogP: 7.64
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.82
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one?

The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one (CID 13216820) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one.

What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one?

The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one?

The InChIKey is OFMRIAGZCRKNBN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-23(2,3)28(7,8)26-17-15-13-11-12-14-16-20-18-21(25)19-22(20)27-29(9,10)24(4,5)6/h18,22H,11-17,19H2,1-10H3/t22-/m0/s1.

What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one?

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one has a molecular weight of 440.82 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one is sourced from PubChem (CID 13216820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).