trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane

C51H84Si — CID 11216306

IUPACtrimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C51H84Si/c1-43(2)25-17-27-45(4)29-19-31-47(6)33-21-35-49(8)37-23-39-51(10)41-24-40-50(9)38-22-36-48(7)34-20-32-46(5)30-18-28-44(3)26-15-14-16-42-52(11,12)13/h25-26,29-30,33-34,37-38,41H,14-15,17-24,27-28,31-32,35-36,39-40H2,1-13H3/b44-26+,45-29+,46-30+,47-33+,48-34+,49-37+,50-38+,51-41+
InChIKeyLWTWKAVRYYRCDV-BEHKIRPCSA-N
MW725.32 g/mol
LogP17.43
Rot. Bonds26

About trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane

trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane (PubChem CID 11216306) has the molecular formula C51H84Si and a molecular weight of 725.32 g/mol. Its IUPAC name is trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
PubChem CID11216306
Molecular FormulaC51H84Si
Molecular Weight725.32 g/mol
Exact Mass724.63
IUPAC Nametrimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C51H84Si/c1-43(2)25-17-27-45(4)29-19-31-47(6)33-21-35-49(8)37-23-39-51(10)41-24-40-50(9)38-22-36-48(7)34-20-32-46(5)30-18-28-44(3)26-15-14-16-42-52(11,12)13/h25-26,29-30,33-34,37-38,41H,14-15,17-24,27-28,31-32,35-36,39-40H2,1-13H3/b44-26+,45-29+,46-30+,47-33+,48-34+,49-37+,50-38+,51-41+
InChIKeyLWTWKAVRYYRCDV-BEHKIRPCSA-N
XLogP17.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.32
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane?
The IUPAC name of trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane (CID 11216306) is trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane?
The canonical SMILES for trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane?
The InChIKey is LWTWKAVRYYRCDV-BEHKIRPCSA-N. The full InChI is InChI=1S/C51H84Si/c1-43(2)25-17-27-45(4)29-19-31-47(6)33-21-35-49(8)37-23-39-51(10)41-24-40-50(9)38-22-36-48(7)34-20-32-46(5)30-18-28-44(3)26-15-14-16-42-52(11,12)13/h25-26,29-30,33-34,37-38,41H,14-15,17-24,27-28,31-32,35-36,39-40H2,1-13H3/b44-26+,45-29+,46-30+,47-33+,48-34+,49-37+,50-38+,51-41+.
What are the key properties of trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane?
trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane has a molecular weight of 725.32 g/mol, XLogP of 17.43, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane is sourced from PubChem (CID 11216306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).