triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane

C29H52O4Si2 — CID 11409826

About triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane

triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane (PubChem CID 11409826) has the molecular formula C29H52O4Si2 and a molecular weight of 520.90 g/mol. Its IUPAC name is triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane.

Molecular Properties

• Compound Name: triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane
• PubChem CID: 11409826
• Molecular Formula: C29H52O4Si2
• Molecular Weight: 520.90 g/mol
• Exact Mass: 520.34
• IUPAC Name: triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@]2(O[Si](C)(C)C)OCC3=C2[C@H]2C[C@@H](C)[C@@]3(C)CC/C(C)=C\CC[C@]1(C)O2
• InChI: InChI=1S/C29H52O4Si2/c1-11-35(12-2,13-3)32-26-28(7)17-14-15-21(4)16-18-27(6)22(5)19-24(31-28)25-23(27)20-30-29(25,26)33-34(8,9)10/h15,22,24,26H,11-14,16-20H2,1-10H3/b21-15-/t22-,24-,26+,27-,28+,29-/m1/s1
• InChIKey: FOCZCOWLDFEHBI-ZKVKDQNNSA-N
• XLogP: 7.98
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.90
LogP ≤ 5	7.98
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 triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane?

The IUPAC name of triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane (CID 11409826) is triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane.

What is the SMILES notation for triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane?

The canonical SMILES for triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane is CC[Si](CC)(CC)O[C@@H]1[C@@]2(O[Si](C)(C)C)OCC3=C2[C@H]2C[C@@H](C)[C@@]3(C)CC/C(C)=C\CC[C@]1(C)O2.

What is the InChIKey of triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane?

The InChIKey is FOCZCOWLDFEHBI-ZKVKDQNNSA-N. The full InChI is InChI=1S/C29H52O4Si2/c1-11-35(12-2,13-3)32-26-28(7)17-14-15-21(4)16-18-27(6)22(5)19-24(31-28)25-23(27)20-30-29(25,26)33-34(8,9)10/h15,22,24,26H,11-14,16-20H2,1-10H3/b21-15-/t22-,24-,26+,27-,28+,29-/m1/s1.

What are the key properties of triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane?

triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane has a molecular weight of 520.90 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[(1R,3R,4R,7E,11S,12S,13R)-3,4,7,11-tetramethyl-13-trimethylsilyloxy-14,18-dioxatetracyclo[9.6.1.04,16.013,17]octadeca-7,16-dien-12-yl]oxy]silane is sourced from PubChem (CID 11409826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).