[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane

C52H90O4Si4 — CID 101157189

IUPAC[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(C#CC#Cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C52H90O4Si4/c1-35(2)57(36(3)4,37(5)6)53-49-29-47(30-50(33-49)54-58(38(7)8,39(9)10)40(11)12)27-25-26-28-48-31-51(55-59(41(13)14,42(15)16)43(17)18)34-52(32-48)56-60(44(19)20,45(21)22)46(23)24/h29-46H,1-24H3
InChIKeyRMBZJMLIWXGWBP-UHFFFAOYSA-N
MW891.63 g/mol
LogP17.31
Rot. Bonds20

About [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane

[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane (PubChem CID 101157189) has the molecular formula C52H90O4Si4 and a molecular weight of 891.63 g/mol. Its IUPAC name is [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
PubChem CID101157189
Molecular FormulaC52H90O4Si4
Molecular Weight891.63 g/mol
Exact Mass890.59
IUPAC Name[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(C#CC#Cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C52H90O4Si4/c1-35(2)57(36(3)4,37(5)6)53-49-29-47(30-50(33-49)54-58(38(7)8,39(9)10)40(11)12)27-25-26-28-48-31-51(55-59(41(13)14,42(15)16)43(17)18)34-52(32-48)56-60(44(19)20,45(21)22)46(23)24/h29-46H,1-24H3
InChIKeyRMBZJMLIWXGWBP-UHFFFAOYSA-N
XLogP17.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.63
LogP ≤ 517.31
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[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane (CID 101157189) is [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc(C#CC#Cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?
The InChIKey is RMBZJMLIWXGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H90O4Si4/c1-35(2)57(36(3)4,37(5)6)53-49-29-47(30-50(33-49)54-58(38(7)8,39(9)10)40(11)12)27-25-26-28-48-31-51(55-59(41(13)14,42(15)16)43(17)18)34-52(32-48)56-60(44(19)20,45(21)22)46(23)24/h29-46H,1-24H3.
What are the key properties of [3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?
[3-[4-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane has a molecular weight of 891.63 g/mol, XLogP of 17.31, 20 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[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101157189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).