[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate

C15H24N2O2Si — CID 137313564

IUPAC[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate
SMILESC[Si](C)(C)C#CC1(OC(=O)C=[N+]=[N-])CCCCCCC1
InChIInChI=1S/C15H24N2O2Si/c1-20(2,3)12-11-15(19-14(18)13-17-16)9-7-5-4-6-8-10-15/h13H,4-10H2,1-3H3
InChIKeyMSEHSBMZFQUWJD-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.19
Rot. Bonds2

About [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate

[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate (PubChem CID 137313564) has the molecular formula C15H24N2O2Si and a molecular weight of 292.45 g/mol. Its IUPAC name is [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate.

Molecular Properties

Compound Name[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate
PubChem CID137313564
Molecular FormulaC15H24N2O2Si
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate
SMILESC[Si](C)(C)C#CC1(OC(=O)C=[N+]=[N-])CCCCCCC1
InChIInChI=1S/C15H24N2O2Si/c1-20(2,3)12-11-15(19-14(18)13-17-16)9-7-5-4-6-8-10-15/h13H,4-10H2,1-3H3
InChIKeyMSEHSBMZFQUWJD-UHFFFAOYSA-N
XLogP3.19
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate?
The IUPAC name of [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate (CID 137313564) is [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate.
What is the SMILES notation for [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate?
The canonical SMILES for [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate is C[Si](C)(C)C#CC1(OC(=O)C=[N+]=[N-])CCCCCCC1.
What is the InChIKey of [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate?
The InChIKey is MSEHSBMZFQUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2Si/c1-20(2,3)12-11-15(19-14(18)13-17-16)9-7-5-4-6-8-10-15/h13H,4-10H2,1-3H3.
What are the key properties of [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate?
[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate has a molecular weight of 292.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate is sourced from PubChem (CID 137313564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).