[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

C48H66O4Si4 — CID 101157186

IUPAC[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#CC#CC#CC#CC#CC#Cc2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C48H66O4Si4/c1-45(2,3)53(13,14)49-41-33-39(34-42(37-41)50-54(15,16)46(4,5)6)31-29-27-25-23-21-22-24-26-28-30-32-40-35-43(51-55(17,18)47(7,8)9)38-44(36-40)52-56(19,20)48(10,11)12/h33-38H,1-20H3
InChIKeyOGSRXAAWWHMIGT-UHFFFAOYSA-N
MW819.40 g/mol
LogP12.64
Rot. Bonds8

About [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (PubChem CID 101157186) has the molecular formula C48H66O4Si4 and a molecular weight of 819.40 g/mol. Its IUPAC name is [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
PubChem CID101157186
Molecular FormulaC48H66O4Si4
Molecular Weight819.40 g/mol
Exact Mass818.40
IUPAC Name[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#CC#CC#CC#CC#CC#Cc2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C48H66O4Si4/c1-45(2,3)53(13,14)49-41-33-39(34-42(37-41)50-54(15,16)46(4,5)6)31-29-27-25-23-21-22-24-26-28-30-32-40-35-43(51-55(17,18)47(7,8)9)38-44(36-40)52-56(19,20)48(10,11)12/h33-38H,1-20H3
InChIKeyOGSRXAAWWHMIGT-UHFFFAOYSA-N
XLogP12.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.40
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (CID 101157186) is [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(C#CC#CC#CC#CC#CC#Cc2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The InChIKey is OGSRXAAWWHMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66O4Si4/c1-45(2,3)53(13,14)49-41-33-39(34-42(37-41)50-54(15,16)46(4,5)6)31-29-27-25-23-21-22-24-26-28-30-32-40-35-43(51-55(17,18)47(7,8)9)38-44(36-40)52-56(19,20)48(10,11)12/h33-38H,1-20H3.
What are the key properties of [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
[3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane has a molecular weight of 819.40 g/mol, XLogP of 12.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[12-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101157186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).