[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

C78H114Si2 — CID 16754459

IUPAC[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
SMILESCC(C)[Si](C#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
InChIInChI=1S/C78H114Si2/c1-57(2)79(58(3)4,59(5)6)51-49-69(77(31,32)33)55-67(75(25,26)27)47-41-39-45-65(73(19,20)21)53-63(71(13,14)15)43-37-38-44-64(72(16,17)18)54-66(74(22,23)24)46-40-42-48-68(76(28,29)30)56-70(78(34,35)36)50-52-80(60(7)8,61(9)10)62(11)12/h57-62H,1-36H3
InChIKeyHISCFNDPZFEETA-UHFFFAOYSA-N
MW1107.94 g/mol
LogP21.63
Rot. Bonds6

About [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

[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 (PubChem CID 16754459) has the molecular formula C78H114Si2 and a molecular weight of 1107.94 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID16754459
Molecular FormulaC78H114Si2
Molecular Weight1107.94 g/mol
Exact Mass1106.85
IUPAC Name[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
SMILESCC(C)[Si](C#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
InChIInChI=1S/C78H114Si2/c1-57(2)79(58(3)4,59(5)6)51-49-69(77(31,32)33)55-67(75(25,26)27)47-41-39-45-65(73(19,20)21)53-63(71(13,14)15)43-37-38-44-64(72(16,17)18)54-66(74(22,23)24)46-40-42-48-68(76(28,29)30)56-70(78(34,35)36)50-52-80(60(7)8,61(9)10)62(11)12/h57-62H,1-36H3
InChIKeyHISCFNDPZFEETA-UHFFFAOYSA-N
XLogP21.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.94
LogP ≤ 521.63
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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)[Si](C#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.
What is the InChIKey of [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?
The InChIKey is HISCFNDPZFEETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H114Si2/c1-57(2)79(58(3)4,59(5)6)51-49-69(77(31,32)33)55-67(75(25,26)27)47-41-39-45-65(73(19,20)21)53-63(71(13,14)15)43-37-38-44-64(72(16,17)18)54-66(74(22,23)24)46-40-42-48-68(76(28,29)30)56-70(78(34,35)36)50-52-80(60(7)8,61(9)10)62(11)12/h57-62H,1-36H3.
What are the key properties of [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?
[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 has a molecular weight of 1107.94 g/mol, XLogP of 21.63, 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-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 is sourced from PubChem (CID 16754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).