(4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal

C27H50O2Si — CID 10598979

About (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal

(4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal (PubChem CID 10598979) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal.

Molecular Properties

• Compound Name: (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal
• PubChem CID: 10598979
• Molecular Formula: C27H50O2Si
• Molecular Weight: 434.78 g/mol
• Exact Mass: 434.36
• IUPAC Name: (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](CCC=O)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H50O2Si/c1-23(2)14-10-15-24(3)16-11-17-25(4)18-12-19-26(20-13-21-28)22-29-30(8,9)27(5,6)7/h14,16,18,21,26H,10-13,15,17,19-20,22H2,1-9H3/b24-16+,25-18+/t26-/m0/s1
• InChIKey: IWCPARJCSBPFIN-ZGHWVHIESA-N
• XLogP: 8.80
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.78
LogP ≤ 5	8.80
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 (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal?

The IUPAC name of (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal (CID 10598979) is (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal.

What is the SMILES notation for (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal?

The canonical SMILES for (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](CCC=O)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal?

The InChIKey is IWCPARJCSBPFIN-ZGHWVHIESA-N. The full InChI is InChI=1S/C27H50O2Si/c1-23(2)14-10-15-24(3)16-11-17-25(4)18-12-19-26(20-13-21-28)22-29-30(8,9)27(5,6)7/h14,16,18,21,26H,10-13,15,17,19-20,22H2,1-9H3/b24-16+,25-18+/t26-/m0/s1.

What are the key properties of (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal?

(4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal has a molecular weight of 434.78 g/mol, XLogP of 8.80, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7E,11E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,12,16-trimethylheptadeca-7,11,15-trienal is sourced from PubChem (CID 10598979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).