diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate

C24H40O5Si — CID 12966273

About diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate

diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate (PubChem CID 12966273) has the molecular formula C24H40O5Si and a molecular weight of 436.67 g/mol. Its IUPAC name is diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate.

Molecular Properties

• Compound Name: diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate
• PubChem CID: 12966273
• Molecular Formula: C24H40O5Si
• Molecular Weight: 436.67 g/mol
• Exact Mass: 436.26
• IUPAC Name: diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate
• SMILES: C#CCC(C(=O)OCC)(C(=O)OCC)C1C=C(O[Si](C(C)C)(C(C)C)C(C)C)CC1
• InChI: InChI=1S/C24H40O5Si/c1-10-15-24(22(25)27-11-2,23(26)28-12-3)20-13-14-21(16-20)29-30(17(4)5,18(6)7)19(8)9/h1,16-20H,11-15H2,2-9H3
• InChIKey: PYTFTDKMLMGILZ-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.67
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate?

The IUPAC name of diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate (CID 12966273) is diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate.

What is the SMILES notation for diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate?

The canonical SMILES for diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate is C#CCC(C(=O)OCC)(C(=O)OCC)C1C=C(O[Si](C(C)C)(C(C)C)C(C)C)CC1.

What is the InChIKey of diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate?

The InChIKey is PYTFTDKMLMGILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O5Si/c1-10-15-24(22(25)27-11-2,23(26)28-12-3)20-13-14-21(16-20)29-30(17(4)5,18(6)7)19(8)9/h1,16-20H,11-15H2,2-9H3.

What are the key properties of diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate?

diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate has a molecular weight of 436.67 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]propanedioate is sourced from PubChem (CID 12966273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).