[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C31H82O22Si16 — CID 90753383

About [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 90753383) has the molecular formula C31H82O22Si16 and a molecular weight of 1256.35 g/mol. Its IUPAC name is [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

• Compound Name: [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
• PubChem CID: 90753383
• Molecular Formula: C31H82O22Si16
• Molecular Weight: 1256.35 g/mol
• Exact Mass: 1254.16
• IUPAC Name: [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
• SMILES: CO[Si](C)(CCC1CCC2OC2C1)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2
• InChI: InChI=1S/C31H82O22Si16/c1-32-61(23,27-26-29-24-25-30-31(28-29)33-30)41-69-51-66(38-58(14,15)16)45-63(35-55(5,6)7)42-62(34-54(2,3)4)43-64(47-66,36-56(8,9)10)49-68(53-69,40-60(20,21)22)50-65(44-62,37-57(11,12)13)48-67(46-63,52-69)39-59(17,18)19/h29-31H,24-28H2,1-23H3
• InChIKey: UVBVWOJRQDKSQV-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 206.36 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.35
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The IUPAC name of [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 90753383) is [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

What is the SMILES notation for [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The canonical SMILES for [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CO[Si](C)(CCC1CCC2OC2C1)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2.

What is the InChIKey of [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The InChIKey is UVBVWOJRQDKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H82O22Si16/c1-32-61(23,27-26-29-24-25-30-31(28-29)33-30)41-69-51-66(38-58(14,15)16)45-63(35-55(5,6)7)42-62(34-54(2,3)4)43-64(47-66,36-56(8,9)10)49-68(53-69,40-60(20,21)22)50-65(44-62,37-57(11,12)13)48-67(46-63,52-69)39-59(17,18)19/h29-31H,24-28H2,1-23H3.

What are the key properties of [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 1256.35 g/mol, XLogP of 7.39, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 90753383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).