3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol

C23H42O2Si — CID 10619680

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol (PubChem CID 10619680) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol.

Molecular Properties

• Compound Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol
• PubChem CID: 10619680
• Molecular Formula: C23H42O2Si
• Molecular Weight: 378.67 g/mol
• Exact Mass: 378.30
• IUPAC Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol
• SMILES: CC1(C)C(CCO[Si](C)(C)C(C)(C)C)=CCCC1(O)CC1C=CCCC1
• InChI: InChI=1S/C23H42O2Si/c1-21(2,3)26(6,7)25-17-15-20-14-11-16-23(24,22(20,4)5)18-19-12-9-8-10-13-19/h9,12,14,19,24H,8,10-11,13,15-18H2,1-7H3
• InChIKey: ZUXGPJGZLNTPSQ-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.67
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol?

The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol (CID 10619680) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol.

What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol?

The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol is CC1(C)C(CCO[Si](C)(C)C(C)(C)C)=CCCC1(O)CC1C=CCCC1.

What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol?

The InChIKey is ZUXGPJGZLNTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-21(2,3)26(6,7)25-17-15-20-14-11-16-23(24,22(20,4)5)18-19-12-9-8-10-13-19/h9,12,14,19,24H,8,10-11,13,15-18H2,1-7H3.

What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol?

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol has a molecular weight of 378.67 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(cyclohex-2-en-1-ylmethyl)-2,2-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 10619680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).