methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate

C24H36O2Si — CID 135031428

IUPACmethyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate
SMILESCOC(=O)CCCCCCCC#CC#CCCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C24H36O2Si/c1-26-24(25)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27(2,3)4/h17,19H,9-16,18,20,22H2,1-4H3/b19-17+
InChIKeyANINKWSPOXTMJL-HTXNQAPBSA-N
MW384.64 g/mol
LogP5.89
Rot. Bonds11

About methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate

methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate (PubChem CID 135031428) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate.

Molecular Properties

Compound Namemethyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate
PubChem CID135031428
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Namemethyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate
SMILESCOC(=O)CCCCCCCC#CC#CCCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C24H36O2Si/c1-26-24(25)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27(2,3)4/h17,19H,9-16,18,20,22H2,1-4H3/b19-17+
InChIKeyANINKWSPOXTMJL-HTXNQAPBSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 55.89
H-Bond Donors ≤ 50
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 methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate?
The IUPAC name of methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate (CID 135031428) is methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate.
What is the SMILES notation for methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate?
The canonical SMILES for methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate is COC(=O)CCCCCCCC#CC#CCCCC/C=C/C#C[Si](C)(C)C.
What is the InChIKey of methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate?
The InChIKey is ANINKWSPOXTMJL-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-26-24(25)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27(2,3)4/h17,19H,9-16,18,20,22H2,1-4H3/b19-17+.
What are the key properties of methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate?
methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate has a molecular weight of 384.64 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate is sourced from PubChem (CID 135031428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).