2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane

C84H126Si6 — CID 15196661

IUPAC2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C84H126Si6/c1-61(2)85(62(3)4,63(5)6)55-49-79-43-37-38-45-81(51-57-87(67(13)14,68(15)16)69(17)18)83(53-59-89(73(25)26,74(27)28)75(29)30)47-41-42-48-84(54-60-90(76(31)32,77(33)34)78(35)36)82(52-58-88(70(19)20,71(21)22)72(23)24)46-40-39-44-80(79)50-56-86(64(7)8,65(9)10)66(11)12/h61-78H,1-36H3/b80-79-,83-81-,84-82-
InChIKeyNGOWBJRPKZEZBT-ZKEGDRQXSA-N
MW1304.45 g/mol
LogP24.08
Rot. Bonds18

About 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane

2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 15196661) has the molecular formula C84H126Si6 and a molecular weight of 1304.45 g/mol. Its IUPAC name is 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID15196661
Molecular FormulaC84H126Si6
Molecular Weight1304.45 g/mol
Exact Mass1302.85
IUPAC Name2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C84H126Si6/c1-61(2)85(62(3)4,63(5)6)55-49-79-43-37-38-45-81(51-57-87(67(13)14,68(15)16)69(17)18)83(53-59-89(73(25)26,74(27)28)75(29)30)47-41-42-48-84(54-60-90(76(31)32,77(33)34)78(35)36)82(52-58-88(70(19)20,71(21)22)72(23)24)46-40-39-44-80(79)50-56-86(64(7)8,65(9)10)66(11)12/h61-78H,1-36H3/b80-79-,83-81-,84-82-
InChIKeyNGOWBJRPKZEZBT-ZKEGDRQXSA-N
XLogP24.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001304.45
LogP ≤ 524.08
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'}

Analyze 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane with MolForge

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Related Compounds

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
[3-[2-Chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane
CID 15258551
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
Silane, (2,3-bis(trimethylsilyl)methyl)-2-butene-1,4-diyl)bis(trimethyl-
CID 144042
(3-Ethynyl-4-((triisopropylsilyl)ethynyl)hexa-3-EN-1,5-diyne-1,6-diyl)bis(triisopropylsilane)
CID 14935769
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11373977
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane (CID 15196661) is 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c#cc#cc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is NGOWBJRPKZEZBT-ZKEGDRQXSA-N. The full InChI is InChI=1S/C84H126Si6/c1-61(2)85(62(3)4,63(5)6)55-49-79-43-37-38-45-81(51-57-87(67(13)14,68(15)16)69(17)18)83(53-59-89(73(25)26,74(27)28)75(29)30)47-41-42-48-84(54-60-90(76(31)32,77(33)34)78(35)36)82(52-58-88(70(19)20,71(21)22)72(23)24)46-40-39-44-80(79)50-56-86(64(7)8,65(9)10)66(11)12/h61-78H,1-36H3/b80-79-,83-81-,84-82-.
What are the key properties of 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane?
2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 1304.45 g/mol, XLogP of 24.08, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 15196661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).