2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde

C19H34O2Si — CID 11023723

About 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde

2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde (PubChem CID 11023723) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde
• PubChem CID: 11023723
• Molecular Formula: C19H34O2Si
• Molecular Weight: 322.57 g/mol
• Exact Mass: 322.23
• IUPAC Name: 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]1(C)[C@]1(CC=O)C=CCCC1
• InChI: InChI=1S/C19H34O2Si/c1-17(2,3)22(5,6)21-16-10-13-18(16,4)19(14-15-20)11-8-7-9-12-19/h8,11,15-16H,7,9-10,12-14H2,1-6H3/t16-,18+,19-/m1/s1
• InChIKey: SEFRDCLXAHPJGX-NZSAHSFTSA-N
• XLogP: 5.49
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde?

The IUPAC name of 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde (CID 11023723) is 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde.

What is the SMILES notation for 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde?

The canonical SMILES for 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]1(C)[C@]1(CC=O)C=CCCC1.

What is the InChIKey of 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde?

The InChIKey is SEFRDCLXAHPJGX-NZSAHSFTSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-17(2,3)22(5,6)21-16-10-13-18(16,4)19(14-15-20)11-8-7-9-12-19/h8,11,15-16H,7,9-10,12-14H2,1-6H3/t16-,18+,19-/m1/s1.

What are the key properties of 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde?

2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 322.57 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 11023723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).