bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane

C72H118O13Si2 — CID 123400300

IUPACbis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane
SMILESCC(C)(C)Oc1cc(OC(C)(C)C)c([SiH](O[SiH](c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c(OC(C)(C)C)c1
InChIInChI=1S/C72H118O13Si2/c1-61(2,3)73-45-37-49(77-65(13,14)15)57(50(38-45)78-66(16,17)18)86(58-51(79-67(19,20)21)39-46(74-62(4,5)6)40-52(58)80-68(22,23)24)85-87(59-53(81-69(25,26)27)41-47(75-63(7,8)9)42-54(59)82-70(28,29)30)60-55(83-71(31,32)33)43-48(76-64(10,11)12)44-56(60)84-72(34,35)36/h37-44,86-87H,1-36H3
InChIKeyYUMRUCFDUXIQRU-UHFFFAOYSA-N
MW1247.89 g/mol
LogP16.21
Rot. Bonds18

About bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane

bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane (PubChem CID 123400300) has the molecular formula C72H118O13Si2 and a molecular weight of 1247.89 g/mol. Its IUPAC name is bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane.

Molecular Properties

Compound Namebis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane
PubChem CID123400300
Molecular FormulaC72H118O13Si2
Molecular Weight1247.89 g/mol
Exact Mass1246.81
IUPAC Namebis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane
SMILESCC(C)(C)Oc1cc(OC(C)(C)C)c([SiH](O[SiH](c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c(OC(C)(C)C)c1
InChIInChI=1S/C72H118O13Si2/c1-61(2,3)73-45-37-49(77-65(13,14)15)57(50(38-45)78-66(16,17)18)86(58-51(79-67(19,20)21)39-46(74-62(4,5)6)40-52(58)80-68(22,23)24)85-87(59-53(81-69(25,26)27)41-47(75-63(7,8)9)42-54(59)82-70(28,29)30)60-55(83-71(31,32)33)43-48(76-64(10,11)12)44-56(60)84-72(34,35)36/h37-44,86-87H,1-36H3
InChIKeyYUMRUCFDUXIQRU-UHFFFAOYSA-N
XLogP16.21
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.89
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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 bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane?
The IUPAC name of bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane (CID 123400300) is bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane.
What is the SMILES notation for bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane?
The canonical SMILES for bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane is CC(C)(C)Oc1cc(OC(C)(C)C)c([SiH](O[SiH](c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c(OC(C)(C)C)c1.
What is the InChIKey of bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane?
The InChIKey is YUMRUCFDUXIQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H118O13Si2/c1-61(2,3)73-45-37-49(77-65(13,14)15)57(50(38-45)78-66(16,17)18)86(58-51(79-67(19,20)21)39-46(74-62(4,5)6)40-52(58)80-68(22,23)24)85-87(59-53(81-69(25,26)27)41-47(75-63(7,8)9)42-54(59)82-70(28,29)30)60-55(83-71(31,32)33)43-48(76-64(10,11)12)44-56(60)84-72(34,35)36/h37-44,86-87H,1-36H3.
What are the key properties of bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane?
bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane has a molecular weight of 1247.89 g/mol, XLogP of 16.21, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silyloxy-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]silane is sourced from PubChem (CID 123400300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).