tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane

C23H36OSi — CID 10546212

About tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane

tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane (PubChem CID 10546212) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane
• PubChem CID: 10546212
• Molecular Formula: C23H36OSi
• Molecular Weight: 356.63 g/mol
• Exact Mass: 356.25
• IUPAC Name: tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane
• SMILES: C#C/C=C/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C23H36OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21(2)3,22(4)5)23(6)7/h1,9-18,21-23H,19-20H2,2-7H3/b10-9+,12-11+,14-13+,16-15+,18-17+
• InChIKey: FPAABJPEXXRZOZ-ASBFFMKOSA-N
• XLogP: 6.98
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.63
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane?

The IUPAC name of tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane (CID 10546212) is tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane is C#C/C=C/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane?

The InChIKey is FPAABJPEXXRZOZ-ASBFFMKOSA-N. The full InChI is InChI=1S/C23H36OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21(2)3,22(4)5)23(6)7/h1,9-18,21-23H,19-20H2,2-7H3/b10-9+,12-11+,14-13+,16-15+,18-17+.

What are the key properties of tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane?

tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane has a molecular weight of 356.63 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(3E,5E,7E,9E,11E)-tetradeca-3,5,7,9,11-pentaen-13-ynoxy]silane is sourced from PubChem (CID 10546212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).