methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate

C20H34O3Si — CID 53348233

About methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate

methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate (PubChem CID 53348233) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate.

Molecular Properties

• Compound Name: methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate
• PubChem CID: 53348233
• Molecular Formula: C20H34O3Si
• Molecular Weight: 350.58 g/mol
• Exact Mass: 350.23
• IUPAC Name: methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate
• SMILES: C#CCCC(C=C)[C@@H](CC/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H34O3Si/c1-9-11-14-17(10-2)18(15-12-13-16-19(21)22-6)23-24(7,8)20(3,4)5/h1,10,13,16-18H,2,11-12,14-15H2,3-8H3/b16-13-/t17?,18-/m1/s1
• InChIKey: PMHMTZDSMRTCRV-PIZXICBHSA-N
• XLogP: 5.10
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.58
LogP ≤ 5	5.10
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate?

The IUPAC name of methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate (CID 53348233) is methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate.

What is the SMILES notation for methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate?

The canonical SMILES for methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate is C#CCCC(C=C)[C@@H](CC/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate?

The InChIKey is PMHMTZDSMRTCRV-PIZXICBHSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-9-11-14-17(10-2)18(15-12-13-16-19(21)22-6)23-24(7,8)20(3,4)5/h1,10,13,16-18H,2,11-12,14-15H2,3-8H3/b16-13-/t17?,18-/m1/s1.

What are the key properties of methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate?

methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate has a molecular weight of 350.58 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate is sourced from PubChem (CID 53348233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).