[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

C40H66O4Si4 — CID 101157188

IUPAC[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#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/C40H66O4Si4/c1-37(2,3)45(13,14)41-33-25-31(26-34(29-33)42-46(15,16)38(4,5)6)23-21-22-24-32-27-35(43-47(17,18)39(7,8)9)30-36(28-32)44-48(19,20)40(10,11)12/h25-30H,1-20H3
InChIKeyXGXZEZUUODMXEF-UHFFFAOYSA-N
MW723.31 g/mol
LogP12.63
Rot. Bonds8

About [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (PubChem CID 101157188) has the molecular formula C40H66O4Si4 and a molecular weight of 723.31 g/mol. Its IUPAC name is [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
PubChem CID101157188
Molecular FormulaC40H66O4Si4
Molecular Weight723.31 g/mol
Exact Mass722.40
IUPAC Name[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#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/C40H66O4Si4/c1-37(2,3)45(13,14)41-33-25-31(26-34(29-33)42-46(15,16)38(4,5)6)23-21-22-24-32-27-35(43-47(17,18)39(7,8)9)30-36(28-32)44-48(19,20)40(10,11)12/h25-30H,1-20H3
InChIKeyXGXZEZUUODMXEF-UHFFFAOYSA-N
XLogP12.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.31
LogP ≤ 512.63
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-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (CID 101157188) is [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(C#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-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The InChIKey is XGXZEZUUODMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H66O4Si4/c1-37(2,3)45(13,14)41-33-25-31(26-34(29-33)42-46(15,16)38(4,5)6)23-21-22-24-32-27-35(43-47(17,18)39(7,8)9)30-36(28-32)44-48(19,20)40(10,11)12/h25-30H,1-20H3.
What are the key properties of [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
[3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane has a molecular weight of 723.31 g/mol, XLogP of 12.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101157188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).