3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol

C19H36O2Si — CID 10496236

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol (PubChem CID 10496236) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol.

Molecular Properties

• Compound Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol
• PubChem CID: 10496236
• Molecular Formula: C19H36O2Si
• Molecular Weight: 324.58 g/mol
• Exact Mass: 324.25
• IUPAC Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol
• SMILES: C=CCC1(O)CCC=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C
• InChI: InChI=1S/C19H36O2Si/c1-9-13-19(20)14-10-11-16(18(19,5)6)12-15-21-22(7,8)17(2,3)4/h9,11,20H,1,10,12-15H2,2-8H3
• InChIKey: RGPBDWVPXBTEIY-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• 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	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]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol?

The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol (CID 10496236) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol.

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

The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol is C=CCC1(O)CCC=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C.

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

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

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

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.45, 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]-2,2-dimethyl-1-prop-2-enylcyclohex-3-en-1-ol is sourced from PubChem (CID 10496236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).