cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one

C19H38O3Si2 — CID 57327544

About cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one

cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one (PubChem CID 57327544) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one.

Molecular Properties

• Compound Name: cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one
• PubChem CID: 57327544
• Molecular Formula: C19H38O3Si2
• Molecular Weight: 370.68 g/mol
• Exact Mass: 370.24
• IUPAC Name: cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one
• SMILES: C=C1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H38O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)17(12-16(14)20)22-24(10,11)19(5,6)7/h15,17H,1,12-13H2,2-11H3/t15-,17-/m0/s1
• InChIKey: IACJLEZFMRZQGF-RDJZCZTQSA-N
• XLogP: 5.54
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.68
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one?

The IUPAC name of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one (CID 57327544) is cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one.

What is the SMILES notation for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one?

The canonical SMILES for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one is C=C1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one?

The InChIKey is IACJLEZFMRZQGF-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)17(12-16(14)20)22-24(10,11)19(5,6)7/h15,17H,1,12-13H2,2-11H3/t15-,17-/m0/s1.

What are the key properties of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one?

cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-one is sourced from PubChem (CID 57327544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).