tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane

C27H50O4Si2 — CID 101154497

About tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane (PubChem CID 101154497) has the molecular formula C27H50O4Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane
• PubChem CID: 101154497
• Molecular Formula: C27H50O4Si2
• Molecular Weight: 494.87 g/mol
• Exact Mass: 494.32
• IUPAC Name: tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane
• SMILES: CC[Si](CC)(CC)O[C@@]12CCCC=C1/C=C\[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C2
• InChI: InChI=1S/C27H50O4Si2/c1-11-33(12-2,13-3)31-27-19-15-14-16-21(27)17-18-22-24(29-26(7,8)28-22)23(20-27)30-32(9,10)25(4,5)6/h16-18,22-24H,11-15,19-20H2,1-10H3/b18-17-/t22-,23+,24-,27-/m1/s1
• InChIKey: HXOIOVSFLLPWJT-XWVYYWDDSA-N
• XLogP: 7.73
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.87
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane (CID 101154497) is tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane is CC[Si](CC)(CC)O[C@@]12CCCC=C1/C=C\[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C2.

What is the InChIKey of tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane?

The InChIKey is HXOIOVSFLLPWJT-XWVYYWDDSA-N. The full InChI is InChI=1S/C27H50O4Si2/c1-11-33(12-2,13-3)31-27-19-15-14-16-21(27)17-18-22-24(29-26(7,8)28-22)23(20-27)30-32(9,10)25(4,5)6/h16-18,22-24H,11-15,19-20H2,1-10H3/b18-17-/t22-,23+,24-,27-/m1/s1.

What are the key properties of tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane?

tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane has a molecular weight of 494.87 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1R,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-dien-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).