[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate

C14H22N2O2Si — CID 102310880

IUPAC[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate
SMILESCC1CCC(C#C[Si](C)(C)C)(OC(=O)C=[N+]=[N-])CC1
InChIInChI=1S/C14H22N2O2Si/c1-12-5-7-14(8-6-12,9-10-19(2,3)4)18-13(17)11-16-15/h11-12H,5-8H2,1-4H3
InChIKeyPYRCCYDDYXUUKC-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.66
Rot. Bonds2

About [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate

[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate (PubChem CID 102310880) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate.

Molecular Properties

Compound Name[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate
PubChem CID102310880
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate
SMILESCC1CCC(C#C[Si](C)(C)C)(OC(=O)C=[N+]=[N-])CC1
InChIInChI=1S/C14H22N2O2Si/c1-12-5-7-14(8-6-12,9-10-19(2,3)4)18-13(17)11-16-15/h11-12H,5-8H2,1-4H3
InChIKeyPYRCCYDDYXUUKC-UHFFFAOYSA-N
XLogP2.66
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.66
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 [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate?
The IUPAC name of [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate (CID 102310880) is [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate.
What is the SMILES notation for [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate?
The canonical SMILES for [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate is CC1CCC(C#C[Si](C)(C)C)(OC(=O)C=[N+]=[N-])CC1.
What is the InChIKey of [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate?
The InChIKey is PYRCCYDDYXUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-12-5-7-14(8-6-12,9-10-19(2,3)4)18-13(17)11-16-15/h11-12H,5-8H2,1-4H3.
What are the key properties of [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate?
[4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate has a molecular weight of 278.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-trimethylsilylethynyl)cyclohexyl] 2-diazoacetate is sourced from PubChem (CID 102310880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).