tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate

C24H40O4Si — CID 10047782

About tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate

tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate (PubChem CID 10047782) has the molecular formula C24H40O4Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate.

Molecular Properties

• Compound Name: tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate
• PubChem CID: 10047782
• Molecular Formula: C24H40O4Si
• Molecular Weight: 420.67 g/mol
• Exact Mass: 420.27
• IUPAC Name: tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate
• SMILES: C=CC/C(=C(/C=C\C(=O)OC(C)(C)C)[Si](C)(C)C)C(OC(C)(C)C)C(=O)/C=C/C
• InChI: InChI=1S/C24H40O4Si/c1-12-14-18(22(19(25)15-13-2)28-24(6,7)8)20(29(9,10)11)16-17-21(26)27-23(3,4)5/h12-13,15-17,22H,1,14H2,2-11H3/b15-13+,17-16-,20-18+
• InChIKey: QZSMFMICWCZJHF-NJXSSSTFSA-N
• XLogP: 5.96
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.67
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate?

The IUPAC name of tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate (CID 10047782) is tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate.

What is the SMILES notation for tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate?

The canonical SMILES for tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate is C=CC/C(=C(/C=C\C(=O)OC(C)(C)C)[Si](C)(C)C)C(OC(C)(C)C)C(=O)/C=C/C.

What is the InChIKey of tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate?

The InChIKey is QZSMFMICWCZJHF-NJXSSSTFSA-N. The full InChI is InChI=1S/C24H40O4Si/c1-12-14-18(22(19(25)15-13-2)28-24(6,7)8)20(29(9,10)11)16-17-21(26)27-23(3,4)5/h12-13,15-17,22H,1,14H2,2-11H3/b15-13+,17-16-,20-18+.

What are the key properties of tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate?

tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate has a molecular weight of 420.67 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate is sourced from PubChem (CID 10047782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).