tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane

C27H52O2Si2 — CID 101166085

About tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane

tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane (PubChem CID 101166085) has the molecular formula C27H52O2Si2 and a molecular weight of 464.88 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane
• PubChem CID: 101166085
• Molecular Formula: C27H52O2Si2
• Molecular Weight: 464.88 g/mol
• Exact Mass: 464.35
• IUPAC Name: tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane
• SMILES: C#CCC(CC#C)(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C27H52O2Si2/c1-15-17-27(18-16-2,19-28-30(21(3)4,22(5)6)23(7)8)20-29-31(24(9)10,25(11)12)26(13)14/h1-2,21-26H,17-20H2,3-14H3
• InChIKey: FIRSJEFJFVBAEL-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.88
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane?

The IUPAC name of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane (CID 101166085) is tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane is C#CCC(CC#C)(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane?

The InChIKey is FIRSJEFJFVBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O2Si2/c1-15-17-27(18-16-2,19-28-30(21(3)4,22(5)6)23(7)8)20-29-31(24(9)10,25(11)12)26(13)14/h1-2,21-26H,17-20H2,3-14H3.

What are the key properties of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane?

tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane has a molecular weight of 464.88 g/mol, XLogP of 8.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane is sourced from PubChem (CID 101166085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).