tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane

C30H50OSi2 — CID 102485688

About tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane

tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane (PubChem CID 102485688) has the molecular formula C30H50OSi2 and a molecular weight of 482.90 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane
• PubChem CID: 102485688
• Molecular Formula: C30H50OSi2
• Molecular Weight: 482.90 g/mol
• Exact Mass: 482.34
• IUPAC Name: tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane
• SMILES: C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/COC/C1=C\C#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C30H50OSi2/c1-14-28(17-19-33(25(8)9,26(10)11)27(12)13)30-21-31-20-29(30)16-15-18-32(22(2)3,23(4)5)24(6)7/h14,16,22-27H,1,20-21H2,2-13H3/b29-16+,30-28+
• InChIKey: HXYBSMWOTXTEHO-XTAVMJIJSA-N
• XLogP: 8.87
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.90
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane?

The IUPAC name of tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane (CID 102485688) is tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane is C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/COC/C1=C\C#C[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane?

The InChIKey is HXYBSMWOTXTEHO-XTAVMJIJSA-N. The full InChI is InChI=1S/C30H50OSi2/c1-14-28(17-19-33(25(8)9,26(10)11)27(12)13)30-21-31-20-29(30)16-15-18-32(22(2)3,23(4)5)24(6)7/h14,16,22-27H,1,20-21H2,2-13H3/b29-16+,30-28+.

What are the key properties of tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane?

tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane has a molecular weight of 482.90 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane is sourced from PubChem (CID 102485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).