4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol

C24H50O3Si2 — CID 10694523

About 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol

4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol (PubChem CID 10694523) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol.

Molecular Properties

• Compound Name: 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol
• PubChem CID: 10694523
• Molecular Formula: C24H50O3Si2
• Molecular Weight: 442.83 g/mol
• Exact Mass: 442.33
• IUPAC Name: 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol
• SMILES: C=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCCCO)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H50O3Si2/c1-11-29(12-2,13-3)27-24(21(4)5)18-17-23(24,16-14-15-19-25)20-26-28(9,10)22(6,7)8/h25H,4,11-20H2,1-3,5-10H3/t23-,24-/m0/s1
• InChIKey: IKQPMRKWSXSDNE-ZEQRLZLVSA-N
• XLogP: 7.29
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.83
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol?

The IUPAC name of 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol (CID 10694523) is 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol.

What is the SMILES notation for 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol?

The canonical SMILES for 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCCCO)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol?

The InChIKey is IKQPMRKWSXSDNE-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-11-29(12-2,13-3)27-24(21(4)5)18-17-23(24,16-14-15-19-25)20-26-28(9,10)22(6,7)8/h25H,4,11-20H2,1-3,5-10H3/t23-,24-/m0/s1.

What are the key properties of 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol?

4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol has a molecular weight of 442.83 g/mol, XLogP of 7.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol is sourced from PubChem (CID 10694523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).