N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide

C25H39NO2Si2 — CID 15486533

IUPACN-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide
SMILESC[Si](C)(C)C#CCC(O)(CC#C[Si](C)(C)C)CCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H39NO2Si2/c1-29(2,3)20-12-18-25(28,19-13-21-30(4,5)6)17-11-10-16-24(27)26-22-23-14-8-7-9-15-23/h7-9,14-15,28H,10-11,16-19,22H2,1-6H3,(H,26,27)
InChIKeyGYOLRWZCZFJNGL-UHFFFAOYSA-N
MW441.76 g/mol
LogP5.14
Rot. Bonds9

About N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide

N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide (PubChem CID 15486533) has the molecular formula C25H39NO2Si2 and a molecular weight of 441.76 g/mol. Its IUPAC name is N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide.

Molecular Properties

Compound NameN-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide
PubChem CID15486533
Molecular FormulaC25H39NO2Si2
Molecular Weight441.76 g/mol
Exact Mass441.25
IUPAC NameN-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide
SMILESC[Si](C)(C)C#CCC(O)(CC#C[Si](C)(C)C)CCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H39NO2Si2/c1-29(2,3)20-12-18-25(28,19-13-21-30(4,5)6)17-11-10-16-24(27)26-22-23-14-8-7-9-15-23/h7-9,14-15,28H,10-11,16-19,22H2,1-6H3,(H,26,27)
InChIKeyGYOLRWZCZFJNGL-UHFFFAOYSA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide?
The IUPAC name of N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide (CID 15486533) is N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide.
What is the SMILES notation for N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide?
The canonical SMILES for N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide is C[Si](C)(C)C#CCC(O)(CC#C[Si](C)(C)C)CCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide?
The InChIKey is GYOLRWZCZFJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO2Si2/c1-29(2,3)20-12-18-25(28,19-13-21-30(4,5)6)17-11-10-16-24(27)26-22-23-14-8-7-9-15-23/h7-9,14-15,28H,10-11,16-19,22H2,1-6H3,(H,26,27).
What are the key properties of N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide?
N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide has a molecular weight of 441.76 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydroxy-9-trimethylsilyl-6-(3-trimethylsilylprop-2-ynyl)non-8-ynamide is sourced from PubChem (CID 15486533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).