tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane

C39H58Si — CID 16754262

About tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane

tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane (PubChem CID 16754262) has the molecular formula C39H58Si and a molecular weight of 554.98 g/mol. Its IUPAC name is tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane
• PubChem CID: 16754262
• Molecular Formula: C39H58Si
• Molecular Weight: 554.98 g/mol
• Exact Mass: 554.43
• IUPAC Name: tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane
• SMILES: C#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C39H58Si/c1-20-32(36(8,9)10)27-33(37(11,12)13)23-21-22-24-34(38(14,15)16)28-35(39(17,18)19)25-26-40(29(2)3,30(4)5)31(6)7/h1,29-31H,2-19H3
• InChIKey: QIQMQSAHABLHPY-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.98
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane?

The IUPAC name of tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane (CID 16754262) is tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane.

What is the SMILES notation for tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane?

The canonical SMILES for tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane is C#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane?

The InChIKey is QIQMQSAHABLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58Si/c1-20-32(36(8,9)10)27-33(37(11,12)13)23-21-22-24-34(38(14,15)16)28-35(39(17,18)19)25-26-40(29(2)3,30(4)5)31(6)7/h1,29-31H,2-19H3.

What are the key properties of tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane?

tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane has a molecular weight of 554.98 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane is sourced from PubChem (CID 16754262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).