tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane

C28H56O2Si2 — CID 135035940

About tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane

tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane (PubChem CID 135035940) has the molecular formula C28H56O2Si2 and a molecular weight of 480.93 g/mol. Its IUPAC name is tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane
• PubChem CID: 135035940
• Molecular Formula: C28H56O2Si2
• Molecular Weight: 480.93 g/mol
• Exact Mass: 480.38
• IUPAC Name: tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane
• SMILES: CC=C/C(C)=C\[C@H](C)[C@@H](/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H56O2Si2/c1-15-18-23(2)21-25(4)26(30-32(13,14)28(8,9)10)22-24(3)19-16-17-20-29-31(11,12)27(5,6)7/h15,18,21-22,25-26H,16-17,19-20H2,1-14H3/b18-15?,23-21-,24-22+/t25-,26+/m0/s1
• InChIKey: ZEMHISGVXIWUSF-WJGCQTJHSA-N
• XLogP: 9.67
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.93
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane (CID 135035940) is tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane is CC=C/C(C)=C\[C@H](C)[C@@H](/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane?

The InChIKey is ZEMHISGVXIWUSF-WJGCQTJHSA-N. The full InChI is InChI=1S/C28H56O2Si2/c1-15-18-23(2)21-25(4)26(30-32(13,14)28(8,9)10)22-24(3)19-16-17-20-29-31(11,12)27(5,6)7/h15,18,21-22,25-26H,16-17,19-20H2,1-14H3/b18-15?,23-21-,24-22+/t25-,26+/m0/s1.

What are the key properties of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane?

tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane has a molecular weight of 480.93 g/mol, XLogP of 9.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane is sourced from PubChem (CID 135035940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).