2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde

C19H36O2Si — CID 11088648

About 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde

2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde (PubChem CID 11088648) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde
• PubChem CID: 11088648
• Molecular Formula: C19H36O2Si
• Molecular Weight: 324.58 g/mol
• Exact Mass: 324.25
• IUPAC Name: 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde
• SMILES: CC1=CC[C@H](C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC=O
• InChI: InChI=1S/C19H36O2Si/c1-14(2)16-10-9-15(3)17(11-12-20)18(16)13-21-22(7,8)19(4,5)6/h9,12,14,16-18H,10-11,13H2,1-8H3/t16-,17+,18-/m1/s1
• InChIKey: SBMCHTRKBNMRIH-FGTMMUONSA-N
• XLogP: 5.45
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	324.58
LogP ≤ 5	5.45
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,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde?

The IUPAC name of 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde (CID 11088648) is 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde.

What is the SMILES notation for 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde?

The canonical SMILES for 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde is CC1=CC[C@H](C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC=O.

What is the InChIKey of 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde?

The InChIKey is SBMCHTRKBNMRIH-FGTMMUONSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-14(2)16-10-9-15(3)17(11-12-20)18(16)13-21-22(7,8)19(4,5)6/h9,12,14,16-18H,10-11,13H2,1-8H3/t16-,17+,18-/m1/s1.

What are the key properties of 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde?

2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 324.58 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 11088648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).