trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane

C97H146OSi — CID 102388779

About trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane

trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane (PubChem CID 102388779) has the molecular formula C97H146OSi and a molecular weight of 1356.32 g/mol. Its IUPAC name is trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane.

Molecular Properties

• Compound Name: trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane
• PubChem CID: 102388779
• Molecular Formula: C97H146OSi
• Molecular Weight: 1356.32 g/mol
• Exact Mass: 1355.11
• IUPAC Name: trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane
• SMILES: CCCC/C(C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#CC(C)(C)OC)CCCC)CCCC)CCCC)CCCC)=C(\C#C/C(CCCC)=C(/C#C/C(CCCC)=C(/C#C/C(CCCC)=C(/C#C[Si](C)(C)C)CCC)CCC)CCC)CCC
• InChI: InChI=1S/C97H146OSi/c1-23-39-55-89(82(48-32-10)64-72-91(57-41-25-3)84(50-34-12)66-74-93(59-43-27-5)86(52-36-14)68-76-95(61-45-29-7)88(54-38-16)78-80-99(20,21)22)70-63-81(47-31-9)90(56-40-24-2)71-65-83(49-33-11)92(58-42-26-4)73-67-85(51-35-13)94(60-44-28-6)75-69-87(53-37-15)96(62-46-30-8)77-79-97(17,18)98-19/h23-62H2,1-22H3/b89-82+,90-81+,91-84+,92-83+,93-86+,94-85+,95-88+,96-87+
• InChIKey: FIVMIGDISCXMRJ-UHTFOJKKSA-N
• XLogP: 28.61
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 41
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1356.32
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane?

The IUPAC name of trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane (CID 102388779) is trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane.

What is the SMILES notation for trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane?

The canonical SMILES for trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane is CCCC/C(C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#C/C(CCC)=C(/C#CC(C)(C)OC)CCCC)CCCC)CCCC)CCCC)=C(\C#C/C(CCCC)=C(/C#C/C(CCCC)=C(/C#C/C(CCCC)=C(/C#C[Si](C)(C)C)CCC)CCC)CCC)CCC.

What is the InChIKey of trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane?

The InChIKey is FIVMIGDISCXMRJ-UHTFOJKKSA-N. The full InChI is InChI=1S/C97H146OSi/c1-23-39-55-89(82(48-32-10)64-72-91(57-41-25-3)84(50-34-12)66-74-93(59-43-27-5)86(52-36-14)68-76-95(61-45-29-7)88(54-38-16)78-80-99(20,21)22)70-63-81(47-31-9)90(56-40-24-2)71-65-83(49-33-11)92(58-42-26-4)73-67-85(51-35-13)94(60-44-28-6)75-69-87(53-37-15)96(62-46-30-8)77-79-97(17,18)98-19/h23-62H2,1-22H3/b89-82+,90-81+,91-84+,92-83+,93-86+,94-85+,95-88+,96-87+.

What are the key properties of trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane?

trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane has a molecular weight of 1356.32 g/mol, XLogP of 28.61, 41 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane is sourced from PubChem (CID 102388779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).