[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

C168H222Si2 — CID 16754265

IUPAC[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
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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C168H222Si2/c1-123(2)169(124(3)4,125(5)6)111-109-147(167(67,68)69)121-145(165(61,62)63)107-89-87-105-143(163(55,56)57)119-141(161(49,50)51)103-85-83-101-139(159(43,44)45)117-137(157(37,38)39)99-81-79-97-135(155(31,32)33)115-133(153(25,26)27)95-77-75-93-131(151(19,20)21)113-129(149(13,14)15)91-73-74-92-130(150(16,17)18)114-132(152(22,23)24)94-76-78-96-134(154(28,29)30)116-136(156(34,35)36)98-80-82-100-138(158(40,41)42)118-140(160(46,47)48)102-84-86-104-142(162(52,53)54)120-144(164(58,59)60)106-88-90-108-146(166(64,65)66)122-148(168(70,71)72)110-112-170(126(7)8,127(9)10)128(11)12/h123-128H,1-72H3
InChIKeyIRYCQRGYECXGCB-UHFFFAOYSA-N
MW2297.80 g/mol
LogP42.93
Rot. Bonds6

About [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

[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 (PubChem CID 16754265) has the molecular formula C168H222Si2 and a molecular weight of 2297.80 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID16754265
Molecular FormulaC168H222Si2
Molecular Weight2297.80 g/mol
Exact Mass2295.69
IUPAC Name[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
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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C168H222Si2/c1-123(2)169(124(3)4,125(5)6)111-109-147(167(67,68)69)121-145(165(61,62)63)107-89-87-105-143(163(55,56)57)119-141(161(49,50)51)103-85-83-101-139(159(43,44)45)117-137(157(37,38)39)99-81-79-97-135(155(31,32)33)115-133(153(25,26)27)95-77-75-93-131(151(19,20)21)113-129(149(13,14)15)91-73-74-92-130(150(16,17)18)114-132(152(22,23)24)94-76-78-96-134(154(28,29)30)116-136(156(34,35)36)98-80-82-100-138(158(40,41)42)118-140(160(46,47)48)102-84-86-104-142(162(52,53)54)120-144(164(58,59)60)106-88-90-108-146(166(64,65)66)122-148(168(70,71)72)110-112-170(126(7)8,127(9)10)128(11)12/h123-128H,1-72H3
InChIKeyIRYCQRGYECXGCB-UHFFFAOYSA-N
XLogP42.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002297.80
LogP ≤ 542.93
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 [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54,59,61,66,68-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 with MolForge

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Related Compounds

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CID 12167045
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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
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[(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-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-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 [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54,59,61,66,68-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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 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#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)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54,59,61,66,68-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?
The InChIKey is IRYCQRGYECXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H222Si2/c1-123(2)169(124(3)4,125(5)6)111-109-147(167(67,68)69)121-145(165(61,62)63)107-89-87-105-143(163(55,56)57)119-141(161(49,50)51)103-85-83-101-139(159(43,44)45)117-137(157(37,38)39)99-81-79-97-135(155(31,32)33)115-133(153(25,26)27)95-77-75-93-131(151(19,20)21)113-129(149(13,14)15)91-73-74-92-130(150(16,17)18)114-132(152(22,23)24)94-76-78-96-134(154(28,29)30)116-136(156(34,35)36)98-80-82-100-138(158(40,41)42)118-140(160(46,47)48)102-84-86-104-142(162(52,53)54)120-144(164(58,59)60)106-88-90-108-146(166(64,65)66)122-148(168(70,71)72)110-112-170(126(7)8,127(9)10)128(11)12/h123-128H,1-72H3.
What are the key properties of [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?
[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 has a molecular weight of 2297.80 g/mol, XLogP of 42.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54,59,61,66,68-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 is sourced from PubChem (CID 16754265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).