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

C20H38O2Si — CID 10735781

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

1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol (PubChem CID 10735781) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol.

Molecular Properties

• Compound Name: 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol
• PubChem CID: 10735781
• Molecular Formula: C20H38O2Si
• Molecular Weight: 338.61 g/mol
• Exact Mass: 338.26
• IUPAC Name: 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol
• SMILES: C=CCCC1(O)CCC=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C
• InChI: InChI=1S/C20H38O2Si/c1-9-10-14-20(21)15-11-12-17(19(20,5)6)13-16-22-23(7,8)18(2,3)4/h9,12,21H,1,10-11,13-16H2,2-8H3
• InChIKey: HAMFNLRGIKLFAR-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.61
LogP ≤ 5	5.84
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 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol?

The IUPAC name of 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol (CID 10735781) is 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol.

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

The canonical SMILES for 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol is C=CCCC1(O)CCC=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C.

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

The InChIKey is HAMFNLRGIKLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-10-14-20(21)15-11-12-17(19(20,5)6)13-16-22-23(7,8)18(2,3)4/h9,12,21H,1,10-11,13-16H2,2-8H3.

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

1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol has a molecular weight of 338.61 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-but-3-enyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 10735781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).