[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane

C108H150Si2 — CID 16754263

IUPAC[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C108H150Si2/c1-79(2)109(80(3)4,81(5)6)71-69-95(107(43,44)45)77-93(105(37,38)39)67-57-55-65-91(103(31,32)33)75-89(101(25,26)27)63-53-51-61-87(99(19,20)21)73-85(97(13,14)15)59-49-50-60-86(98(16,17)18)74-88(100(22,23)24)62-52-54-64-90(102(28,29)30)76-92(104(34,35)36)66-56-58-68-94(106(40,41)42)78-96(108(46,47)48)70-72-110(82(7)8,83(9)10)84(11)12/h79-84H,1-48H3
InChIKeyFFWQOSOETAPNQG-UHFFFAOYSA-N
MW1504.56 g/mol
LogP28.73
Rot. Bonds6

About [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane

[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane (PubChem CID 16754263) has the molecular formula C108H150Si2 and a molecular weight of 1504.56 g/mol. Its IUPAC name is [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane
PubChem CID16754263
Molecular FormulaC108H150Si2
Molecular Weight1504.56 g/mol
Exact Mass1503.13
IUPAC Name[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C108H150Si2/c1-79(2)109(80(3)4,81(5)6)71-69-95(107(43,44)45)77-93(105(37,38)39)67-57-55-65-91(103(31,32)33)75-89(101(25,26)27)63-53-51-61-87(99(19,20)21)73-85(97(13,14)15)59-49-50-60-86(98(16,17)18)74-88(100(22,23)24)62-52-54-64-90(102(28,29)30)76-92(104(34,35)36)66-56-58-68-94(106(40,41)42)78-96(108(46,47)48)70-72-110(82(7)8,83(9)10)84(11)12/h79-84H,1-48H3
InChIKeyFFWQOSOETAPNQG-UHFFFAOYSA-N
XLogP28.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.56
LogP ≤ 528.73
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 [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane with MolForge

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Related Compounds

3,5-Ditert-butylhepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane
CID 12167045
Tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane
CID 101212827
(3-Tert-butyl-5-methylhexa-3,4-dien-1-ynyl)-trimethylsilane
CID 135072814
[3,5,8,10,15,17,20,22-Octatert-butyl-24-tri(propan-2-yl)silyltetracosa-3,4,8,9,15,16,20,21-octaen-1,6,11,13,18,23-hexaynyl]-tri(propan-2-yl)silane
CID 12167049
(4,4-Dimethyl-3-methylidenepent-1-ynyl)-tri(propan-2-yl)silane
CID 102322021
(3,5-Ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-tri(propan-2-yl)silane
CID 12167042
[(Z)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 15448264
Tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane
CID 16754262
[3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-Hexadecatert-butyl-56-tri(propan-2-yl)silylhexapentaconta-3,4,10,11,17,18,24,25,31,32,38,39,45,46,52,53-hexadecaen-1,6,8,13,15,20,22,27,29,34,36,41,43,48,50,55-hexadecaynyl]-tri(propan-2-yl)silane
CID 16754264
[3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54,59,61,66,68-Icosatert-butyl-70-tri(propan-2-yl)silylheptaconta-3,4,10,11,17,18,24,25,31,32,38,39,45,46,52,53,59,60,66,67-icosaen-1,6,8,13,15,20,22,27,29,34,36,41,43,48,50,55,57,62,64,69-icosaynyl]-tri(propan-2-yl)silane
CID 16754265
[3,5,10,12,17,19,24,26-Octatert-butyl-28-tri(propan-2-yl)silyloctacosa-3,4,10,11,17,18,24,25-octaen-1,6,8,13,15,20,22,27-octaynyl]-tri(propan-2-yl)silane
CID 16754459
Trimethyl-[4,4,9,9-tetraethyl-14,14-dimethyl-5,8,15-tris(trimethylsilyl)-4,9,14-trisilabicyclo[10.3.0]pentadeca-1(15),5,6,7,12-pentaen-2,10-diyn-13-yl]silane
CID 100947594

Frequently Asked Questions

What is the IUPAC name of [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane (CID 16754263) is [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane?
The InChIKey is FFWQOSOETAPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H150Si2/c1-79(2)109(80(3)4,81(5)6)71-69-95(107(43,44)45)77-93(105(37,38)39)67-57-55-65-91(103(31,32)33)75-89(101(25,26)27)63-53-51-61-87(99(19,20)21)73-85(97(13,14)15)59-49-50-60-86(98(16,17)18)74-88(100(22,23)24)62-52-54-64-90(102(28,29)30)76-92(104(34,35)36)66-56-58-68-94(106(40,41)42)78-96(108(46,47)48)70-72-110(82(7)8,83(9)10)84(11)12/h79-84H,1-48H3.
What are the key properties of [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane?
[3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane has a molecular weight of 1504.56 g/mol, XLogP of 28.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5,10,12,17,19,24,26,31,33,38,40-dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 16754263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).