ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate

C28H58O4Si2 — CID 10874955

About ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate

ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate (PubChem CID 10874955) has the molecular formula C28H58O4Si2 and a molecular weight of 514.94 g/mol. Its IUPAC name is ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate.

Molecular Properties

• Compound Name: ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate
• PubChem CID: 10874955
• Molecular Formula: C28H58O4Si2
• Molecular Weight: 514.94 g/mol
• Exact Mass: 514.39
• IUPAC Name: ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate
• SMILES: C/C=C\[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
• InChI: InChI=1S/C28H58O4Si2/c1-16-18-25(15)26(31-33(19(3)4,20(5)6)21(7)8)27(28(29)30-17-2)32-34(22(9)10,23(11)12)24(13)14/h16,18-27H,17H2,1-15H3/b18-16-/t25-,26+,27-/m1/s1
• InChIKey: YYUMGCJFUVFYON-PHKLJONKSA-N
• XLogP: 8.88
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.94
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate?

The IUPAC name of ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate (CID 10874955) is ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate.

What is the SMILES notation for ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate?

The canonical SMILES for ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate is C/C=C\[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC.

What is the InChIKey of ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate?

The InChIKey is YYUMGCJFUVFYON-PHKLJONKSA-N. The full InChI is InChI=1S/C28H58O4Si2/c1-16-18-25(15)26(31-33(19(3)4,20(5)6)21(7)8)27(28(29)30-17-2)32-34(22(9)10,23(11)12)24(13)14/h16,18-27H,17H2,1-15H3/b18-16-/t25-,26+,27-/m1/s1.

What are the key properties of ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate?

ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate has a molecular weight of 514.94 g/mol, XLogP of 8.88, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z,2R,3S,4R)-4-methyl-2,3-bis[tri(propan-2-yl)silyloxy]hept-5-enoate is sourced from PubChem (CID 10874955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).