2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C48H64O4Si4 — CID 67266291

IUPAC2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=Cc1ccc(CCC[Si]2(C)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O2)cc1
InChIInChI=1S/C48H64O4Si4/c1-9-41-21-29-45(30-22-41)17-13-37-53(5)49-54(6,38-14-18-46-31-23-42(10-2)24-32-46)51-56(8,40-16-20-48-35-27-44(12-4)28-36-48)52-55(7,50-53)39-15-19-47-33-25-43(11-3)26-34-47/h9-12,21-36H,1-4,13-20,37-40H2,5-8H3
InChIKeyWJZDWFLXVDBYDY-UHFFFAOYSA-N
MW817.38 g/mol
LogP13.46
Rot. Bonds20

About 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 67266291) has the molecular formula C48H64O4Si4 and a molecular weight of 817.38 g/mol. Its IUPAC name is 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID67266291
Molecular FormulaC48H64O4Si4
Molecular Weight817.38 g/mol
Exact Mass816.39
IUPAC Name2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=Cc1ccc(CCC[Si]2(C)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O2)cc1
InChIInChI=1S/C48H64O4Si4/c1-9-41-21-29-45(30-22-41)17-13-37-53(5)49-54(6,38-14-18-46-31-23-42(10-2)24-32-46)51-56(8,40-16-20-48-35-27-44(12-4)28-36-48)52-55(7,50-53)39-15-19-47-33-25-43(11-3)26-34-47/h9-12,21-36H,1-4,13-20,37-40H2,5-8H3
InChIKeyWJZDWFLXVDBYDY-UHFFFAOYSA-N
XLogP13.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.38
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
sodium 4-(4-ethenylphenyl)butane-1-sulfonate
CID 132599727
4-(4-ethenylphenyl)butyl-methoxy-dimethylsilane
CID 139921336
sodium 6-(4-ethenylphenyl)hexane-1-sulfonate
CID 166153146
3-(4-ethenylphenyl)propyl carbonochloridate
CID 139984757
lithium 3-(4-ethenylphenyl)propane-1-sulfonate
CID 58983822
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
trichloro-[3-(4-ethenylphenyl)propyl]silane
CID 174075092

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 67266291) is 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C=Cc1ccc(CCC[Si]2(C)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O[Si](C)(CCCc3ccc(C=C)cc3)O2)cc1.
What is the InChIKey of 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is WJZDWFLXVDBYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64O4Si4/c1-9-41-21-29-45(30-22-41)17-13-37-53(5)49-54(6,38-14-18-46-31-23-42(10-2)24-32-46)51-56(8,40-16-20-48-35-27-44(12-4)28-36-48)52-55(7,50-53)39-15-19-47-33-25-43(11-3)26-34-47/h9-12,21-36H,1-4,13-20,37-40H2,5-8H3.
What are the key properties of 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 817.38 g/mol, XLogP of 13.46, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 67266291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).