[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate

C30H62O4Si2 — CID 10530545

About [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate

[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate (PubChem CID 10530545) has the molecular formula C30H62O4Si2 and a molecular weight of 542.99 g/mol. Its IUPAC name is [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate
• PubChem CID: 10530545
• Molecular Formula: C30H62O4Si2
• Molecular Weight: 542.99 g/mol
• Exact Mass: 542.42
• IUPAC Name: [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate
• SMILES: C=CCC(O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
• InChI: InChI=1S/C30H62O4Si2/c1-18-19-26(33-35(16,17)30(13,14)15)25(9)27(24(8)20-32-28(31)29(10,11)12)34-36(21(2)3,22(4)5)23(6)7/h18,21-27H,1,19-20H2,2-17H3/t24-,25-,26?,27+/m1/s1
• InChIKey: URBGCPCRGFEIDT-GWDBROLASA-N
• XLogP: 9.38
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.99
LogP ≤ 5	9.38
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 [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate (CID 10530545) is [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate is C=CCC(O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C.

What is the InChIKey of [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?

The InChIKey is URBGCPCRGFEIDT-GWDBROLASA-N. The full InChI is InChI=1S/C30H62O4Si2/c1-18-19-26(33-35(16,17)30(13,14)15)25(9)27(24(8)20-32-28(31)29(10,11)12)34-36(21(2)3,22(4)5)23(6)7/h18,21-27H,1,19-20H2,2-17H3/t24-,25-,26?,27+/m1/s1.

What are the key properties of [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?

[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate has a molecular weight of 542.99 g/mol, XLogP of 9.38, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10530545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).