2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane

C32H88O20Si16 — CID 15448159

IUPAC2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane
SMILESC[Si](C)(O)CC[Si]12O[Si]3(CC[Si](C)(C)O)O[Si]4(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O1)O[Si]1(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O2)O[Si](CC[Si](C)(C)O)(O3)O[Si](CC[Si](C)(C)O)(O4)O1
InChIInChI=1S/C32H88O20Si16/c1-53(2,33)17-25-61-41-62(26-18-54(3,4)34)44-65(29-21-57(9,10)37)46-63(42-61,27-19-55(5,6)35)48-67(31-23-59(13,14)39)49-64(43-61,28-20-56(7,8)36)47-66(45-62,30-22-58(11,12)38)51-68(50-65,52-67)32-24-60(15,16)40/h33-40H,17-32H2,1-16H3
InChIKeyKWSFZWTWFNSKQN-UHFFFAOYSA-N
MW1242.41 g/mol
LogP5.34
Rot. Bonds24

About 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane

2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane (PubChem CID 15448159) has the molecular formula C32H88O20Si16 and a molecular weight of 1242.41 g/mol. Its IUPAC name is 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane.

Molecular Properties

Compound Name2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane
PubChem CID15448159
Molecular FormulaC32H88O20Si16
Molecular Weight1242.41 g/mol
Exact Mass1240.22
IUPAC Name2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane
SMILESC[Si](C)(O)CC[Si]12O[Si]3(CC[Si](C)(C)O)O[Si]4(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O1)O[Si]1(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O2)O[Si](CC[Si](C)(C)O)(O3)O[Si](CC[Si](C)(C)O)(O4)O1
InChIInChI=1S/C32H88O20Si16/c1-53(2,33)17-25-61-41-62(26-18-54(3,4)34)44-65(29-21-57(9,10)37)46-63(42-61,27-19-55(5,6)35)48-67(31-23-59(13,14)39)49-64(43-61,28-20-56(7,8)36)47-66(45-62,30-22-58(11,12)38)51-68(50-65,52-67)32-24-60(15,16)40/h33-40H,17-32H2,1-16H3
InChIKeyKWSFZWTWFNSKQN-UHFFFAOYSA-N
XLogP5.34
TPSA272.60 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001242.41
LogP ≤ 55.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane?
The IUPAC name of 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane (CID 15448159) is 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane.
What is the SMILES notation for 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane?
The canonical SMILES for 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane is C[Si](C)(O)CC[Si]12O[Si]3(CC[Si](C)(C)O)O[Si]4(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O1)O[Si]1(CC[Si](C)(C)O)O[Si](CC[Si](C)(C)O)(O2)O[Si](CC[Si](C)(C)O)(O3)O[Si](CC[Si](C)(C)O)(O4)O1.
What is the InChIKey of 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane?
The InChIKey is KWSFZWTWFNSKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H88O20Si16/c1-53(2,33)17-25-61-41-62(26-18-54(3,4)34)44-65(29-21-57(9,10)37)46-63(42-61,27-19-55(5,6)35)48-67(31-23-59(13,14)39)49-64(43-61,28-20-56(7,8)36)47-66(45-62,30-22-58(11,12)38)51-68(50-65,52-67)32-24-60(15,16)40/h33-40H,17-32H2,1-16H3.
What are the key properties of 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane?
2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane has a molecular weight of 1242.41 g/mol, XLogP of 5.34, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-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]ethyl-hydroxy-dimethylsilane is sourced from PubChem (CID 15448159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).