dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate

C26H48O7Si2 — CID 10324674

About dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate

dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate (PubChem CID 10324674) has the molecular formula C26H48O7Si2 and a molecular weight of 528.84 g/mol. Its IUPAC name is dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate.

Molecular Properties

• Compound Name: dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate
• PubChem CID: 10324674
• Molecular Formula: C26H48O7Si2
• Molecular Weight: 528.84 g/mol
• Exact Mass: 528.29
• IUPAC Name: dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate
• SMILES: CCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](/C(C)=C\C(=O)OC)C(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C26H48O7Si2/c1-13-31-26(33-35(10,11)12)17-21(14-15-24(27)29-5)23(32-34(7,8)9)18-22(19(2)3)20(4)16-25(28)30-6/h16,19,22-23H,13-15,18H2,1-12H3/b20-16-/t17?,22-,23-/m1/s1
• InChIKey: DBONDERBEPKLPV-KZZPGJJSSA-N
• XLogP: 6.20
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.84
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate?

The IUPAC name of dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate (CID 10324674) is dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate.

What is the SMILES notation for dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate?

The canonical SMILES for dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate is CCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](/C(C)=C\C(=O)OC)C(C)C)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate?

The InChIKey is DBONDERBEPKLPV-KZZPGJJSSA-N. The full InChI is InChI=1S/C26H48O7Si2/c1-13-31-26(33-35(10,11)12)17-21(14-15-24(27)29-5)23(32-34(7,8)9)18-22(19(2)3)20(4)16-25(28)30-6/h16,19,22-23H,13-15,18H2,1-12H3/b20-16-/t17?,22-,23-/m1/s1.

What are the key properties of dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate?

dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate has a molecular weight of 528.84 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate is sourced from PubChem (CID 10324674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).