(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal

C₁₄H₂₆O₂Si — CID 135391351

About (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal

(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal (PubChem CID 135391351) has the molecular formula C₁₄H₂₆O₂Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal.

Molecular Properties

• Compound Name: (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal
• PubChem CID: 135391351
• Molecular Formula: C₁₄H₂₆O₂Si
• Molecular Weight: 254.45 g/mol
• Exact Mass: 254.17
• IUPAC Name: (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal
• SMILES: C=CCC/C=C(/C=O)O[Si](CC)(CC)C(C)C
• InChI: InChI=1S/C14H26O2Si/c1-6-9-10-11-14(12-15)16-17(7-2,8-3)13(4)5/h6,11-13H,1,7-10H2,2-5H3/b14-11-
• InChIKey: XEOVTVGVFYSYPD-KAMYIIQDSA-N
• XLogP: 4.45
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.45
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?

The IUPAC name of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal (CID 135391351) is (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal.

What is the SMILES notation for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?

The canonical SMILES for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal is C=CCC/C=C(/C=O)O[Si](CC)(CC)C(C)C.

What is the InChIKey of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?

The InChIKey is XEOVTVGVFYSYPD-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-9-10-11-14(12-15)16-17(7-2,8-3)13(4)5/h6,11-13H,1,7-10H2,2-5H3/b14-11-.

What are the key properties of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?

(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal has a molecular weight of 254.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal is sourced from PubChem (CID 135391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135391351 — identifiers, structure, computed properties (public domain)

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