[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

C138H186Si2 — CID 16754264

IUPAC[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
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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C138H186Si2/c1-101(2)139(102(3)4,103(5)6)91-89-121(137(55,56)57)99-119(135(49,50)51)87-73-71-85-117(133(43,44)45)97-115(131(37,38)39)83-69-67-81-113(129(31,32)33)95-111(127(25,26)27)79-65-63-77-109(125(19,20)21)93-107(123(13,14)15)75-61-62-76-108(124(16,17)18)94-110(126(22,23)24)78-64-66-80-112(128(28,29)30)96-114(130(34,35)36)82-68-70-84-116(132(40,41)42)98-118(134(46,47)48)86-72-74-88-120(136(52,53)54)100-122(138(58,59)60)90-92-140(104(7)8,105(9)10)106(11)12/h101-106H,1-60H3
InChIKeyJLRQRDDNPPJMRG-UHFFFAOYSA-N
MW1901.18 g/mol
LogP35.83
Rot. Bonds6

About [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

[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 (PubChem CID 16754264) has the molecular formula C138H186Si2 and a molecular weight of 1901.18 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID16754264
Molecular FormulaC138H186Si2
Molecular Weight1901.18 g/mol
Exact Mass1899.41
IUPAC Name[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
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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C138H186Si2/c1-101(2)139(102(3)4,103(5)6)91-89-121(137(55,56)57)99-119(135(49,50)51)87-73-71-85-117(133(43,44)45)97-115(131(37,38)39)83-69-67-81-113(129(31,32)33)95-111(127(25,26)27)79-65-63-77-109(125(19,20)21)93-107(123(13,14)15)75-61-62-76-108(124(16,17)18)94-110(126(22,23)24)78-64-66-80-112(128(28,29)30)96-114(130(34,35)36)82-68-70-84-116(132(40,41)42)98-118(134(46,47)48)86-72-74-88-120(136(52,53)54)100-122(138(58,59)60)90-92-140(104(7)8,105(9)10)106(11)12/h101-106H,1-60H3
InChIKeyJLRQRDDNPPJMRG-UHFFFAOYSA-N
XLogP35.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001901.18
LogP ≤ 535.83
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 [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-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 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-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
[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 [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-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?
The InChIKey is JLRQRDDNPPJMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H186Si2/c1-101(2)139(102(3)4,103(5)6)91-89-121(137(55,56)57)99-119(135(49,50)51)87-73-71-85-117(133(43,44)45)97-115(131(37,38)39)83-69-67-81-113(129(31,32)33)95-111(127(25,26)27)79-65-63-77-109(125(19,20)21)93-107(123(13,14)15)75-61-62-76-108(124(16,17)18)94-110(126(22,23)24)78-64-66-80-112(128(28,29)30)96-114(130(34,35)36)82-68-70-84-116(132(40,41)42)98-118(134(46,47)48)86-72-74-88-120(136(52,53)54)100-122(138(58,59)60)90-92-140(104(7)8,105(9)10)106(11)12/h101-106H,1-60H3.
What are the key properties of [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?
[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 has a molecular weight of 1901.18 g/mol, XLogP of 35.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-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 is sourced from PubChem (CID 16754264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).