(2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one

C28H52O3Si2 — CID 162404894

About (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one

(2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one (PubChem CID 162404894) has the molecular formula C28H52O3Si2 and a molecular weight of 492.89 g/mol. Its IUPAC name is (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one.

Molecular Properties

• Compound Name: (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one
• PubChem CID: 162404894
• Molecular Formula: C28H52O3Si2
• Molecular Weight: 492.89 g/mol
• Exact Mass: 492.35
• IUPAC Name: (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one
• SMILES: CC1=C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C1CC#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C28H52O3Si2/c1-19(2)32(20(3)4,21(5)6)16-14-15-27-25(13)17-26(31-28(27)29)18-30-33(22(7)8,23(9)10)24(11)12/h17,19-24,26-27H,15,18H2,1-13H3/t26-,27?/m1/s1
• InChIKey: SEMSAPOGNQKHLE-AVJYQCBHSA-N
• XLogP: 8.28
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.89
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one?

The IUPAC name of (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one (CID 162404894) is (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one.

What is the SMILES notation for (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one?

The canonical SMILES for (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one is CC1=C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C1CC#C[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one?

The InChIKey is SEMSAPOGNQKHLE-AVJYQCBHSA-N. The full InChI is InChI=1S/C28H52O3Si2/c1-19(2)32(20(3)4,21(5)6)16-14-15-27-25(13)17-26(31-28(27)29)18-30-33(22(7)8,23(9)10)24(11)12/h17,19-24,26-27H,15,18H2,1-13H3/t26-,27?/m1/s1.

What are the key properties of (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one?

(2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one has a molecular weight of 492.89 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-methyl-2-[tri(propan-2-yl)silyloxymethyl]-5-[3-tri(propan-2-yl)silylprop-2-ynyl]-2,5-dihydropyran-6-one is sourced from PubChem (CID 162404894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).