2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde

C23H42O2Si — CID 10571724

About 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde

2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 10571724) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

• Compound Name: 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde
• PubChem CID: 10571724
• Molecular Formula: C23H42O2Si
• Molecular Weight: 378.67 g/mol
• Exact Mass: 378.30
• IUPAC Name: 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde
• SMILES: C=CC(CC1=C(C)CCC(C=O)C1(C)C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C23H42O2Si/c1-11-21(25-26(16(2)3,17(4)5)18(6)7)14-22-19(8)12-13-20(15-24)23(22,9)10/h11,15-18,20-21H,1,12-14H2,2-10H3
• InChIKey: DUSDXFHNXCPTOY-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.67
LogP ≤ 5	7.07
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 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde?

The IUPAC name of 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde (CID 10571724) is 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde.

What is the SMILES notation for 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde?

The canonical SMILES for 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde is C=CC(CC1=C(C)CCC(C=O)C1(C)C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde?

The InChIKey is DUSDXFHNXCPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-11-21(25-26(16(2)3,17(4)5)18(6)7)14-22-19(8)12-13-20(15-24)23(22,9)10/h11,15-18,20-21H,1,12-14H2,2-10H3.

What are the key properties of 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde?

2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 378.67 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4-trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10571724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).