[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane

C52H92Si4 — CID 15363828

IUPAC[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCC(=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)CC1)(C(C)C)C(C)C
InChIInChI=1S/C52H92Si4/c1-37(2)53(38(3)4,39(5)6)33-29-51(30-34-54(40(7)8,41(9)10)42(11)12)49-25-27-50(28-26-49)52(31-35-55(43(13)14,44(15)16)45(17)18)32-36-56(46(19)20,47(21)22)48(23)24/h37-48H,25-28H2,1-24H3
InChIKeyIUOMPQDUHFUXBI-UHFFFAOYSA-N
MW829.65 g/mol
LogP17.04
Rot. Bonds12

About [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane

[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane (PubChem CID 15363828) has the molecular formula C52H92Si4 and a molecular weight of 829.65 g/mol. Its IUPAC name is [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
PubChem CID15363828
Molecular FormulaC52H92Si4
Molecular Weight829.65 g/mol
Exact Mass828.63
IUPAC Name[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCC(=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)CC1)(C(C)C)C(C)C
InChIInChI=1S/C52H92Si4/c1-37(2)53(38(3)4,39(5)6)33-29-51(30-34-54(40(7)8,41(9)10)42(11)12)49-25-27-50(28-26-49)52(31-35-55(43(13)14,44(15)16)45(17)18)32-36-56(46(19)20,47(21)22)48(23)24/h37-48H,25-28H2,1-24H3
InChIKeyIUOMPQDUHFUXBI-UHFFFAOYSA-N
XLogP17.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.65
LogP ≤ 517.04
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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Related Compounds

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363827
[6,12-Di(cyclohexylidene)-16-methyl-3,9-di(propan-2-ylidene)-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,7,10,13-pentaynyl]-trimethylsilane
CID 134901393
trimethyl-[(E)-3-propyl-4-trimethylsilyloct-3-en-1-ynyl]silane
CID 134963826
Triethyl-[6-(2-trimethylsilylcyclopropen-1-yl)hexa-1,3-diynyl]silane
CID 134997996
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
Triethyl-[5-(2-trimethylsilylcyclopropen-1-yl)pent-1-ynyl]silane
CID 164665543
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
CID 15266021
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
Tert-butyl-(3-cyclohexylidenepenta-1,4-diynyl)-dimethylsilane
CID 11708690
Tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
CID 101194212
[3,8-Di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 101194213

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane (CID 15363828) is [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCC(=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)CC1)(C(C)C)C(C)C.
What is the InChIKey of [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The InChIKey is IUOMPQDUHFUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H92Si4/c1-37(2)53(38(3)4,39(5)6)33-29-51(30-34-54(40(7)8,41(9)10)42(11)12)49-25-27-50(28-26-49)52(31-35-55(43(13)14,44(15)16)45(17)18)32-36-56(46(19)20,47(21)22)48(23)24/h37-48H,25-28H2,1-24H3.
What are the key properties of [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
[3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane has a molecular weight of 829.65 g/mol, XLogP of 17.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 15363828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).