[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane

C56H86Si4 — CID 101098365

IUPAC[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
SMILESC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C56H86Si4/c1-27-53(33-37-57(41(3)4,42(5)6)43(7)8)55(35-39-59(47(15)16,48(17)18)49(19)20)31-29-30-32-56(36-40-60(50(21)22,51(23)24)52(25)26)54(28-2)34-38-58(44(9)10,45(11)12)46(13)14/h1-2,41-52H,3-26H3/b55-53+,56-54+
InChIKeyKZKFVVLZBGSUHS-DSZBTAPASA-N
MW871.65 g/mol
LogP15.74
Rot. Bonds12

About [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane

[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane (PubChem CID 101098365) has the molecular formula C56H86Si4 and a molecular weight of 871.65 g/mol. Its IUPAC name is [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
PubChem CID101098365
Molecular FormulaC56H86Si4
Molecular Weight871.65 g/mol
Exact Mass870.58
IUPAC Name[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
SMILESC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C56H86Si4/c1-27-53(33-37-57(41(3)4,42(5)6)43(7)8)55(35-39-59(47(15)16,48(17)18)49(19)20)31-29-30-32-56(36-40-60(50(21)22,51(23)24)52(25)26)54(28-2)34-38-58(44(9)10,45(11)12)46(13)14/h1-2,41-52H,3-26H3/b55-53+,56-54+
InChIKeyKZKFVVLZBGSUHS-DSZBTAPASA-N
XLogP15.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.65
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane (CID 101098365) is [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane is C#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane?
The InChIKey is KZKFVVLZBGSUHS-DSZBTAPASA-N. The full InChI is InChI=1S/C56H86Si4/c1-27-53(33-37-57(41(3)4,42(5)6)43(7)8)55(35-39-59(47(15)16,48(17)18)49(19)20)31-29-30-32-56(36-40-60(50(21)22,51(23)24)52(25)26)54(28-2)34-38-58(44(9)10,45(11)12)46(13)14/h1-2,41-52H,3-26H3/b55-53+,56-54+.
What are the key properties of [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane?
[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane has a molecular weight of 871.65 g/mol, XLogP of 15.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101098365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).