tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane

C21H38O2Si — CID 25224044

About tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane

tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane (PubChem CID 25224044) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
• PubChem CID: 25224044
• Molecular Formula: C21H38O2Si
• Molecular Weight: 350.62 g/mol
• Exact Mass: 350.26
• IUPAC Name: tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
• SMILES: C=CCOC[C@@H](/C=C\CC)OCC#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C21H38O2Si/c1-9-11-13-21(17-22-14-10-2)23-15-12-16-24(18(3)4,19(5)6)20(7)8/h10-11,13,18-21H,2,9,14-15,17H2,1,3-8H3/b13-11-/t21-/m1/s1
• InChIKey: CJYWQPZYYNIBJL-JNSUZQQQSA-N
• XLogP: 5.76
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.62
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?

The IUPAC name of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane (CID 25224044) is tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane is C=CCOC[C@@H](/C=C\CC)OCC#C[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?

The InChIKey is CJYWQPZYYNIBJL-JNSUZQQQSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-9-11-13-21(17-22-14-10-2)23-15-12-16-24(18(3)4,19(5)6)20(7)8/h10-11,13,18-21H,2,9,14-15,17H2,1,3-8H3/b13-11-/t21-/m1/s1.

What are the key properties of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?

tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane has a molecular weight of 350.62 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane is sourced from PubChem (CID 25224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).