methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate

C13H20O3Si — CID 11299747

IUPACmethyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate
SMILESCOC(=O)OC1CCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C13H20O3Si/c1-15-13(14)16-12-8-6-5-7-11(12)9-10-17(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyBXGXDSJLHDGVCU-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.13
Rot. Bonds1

About methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate

methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate (PubChem CID 11299747) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate
PubChem CID11299747
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namemethyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate
SMILESCOC(=O)OC1CCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C13H20O3Si/c1-15-13(14)16-12-8-6-5-7-11(12)9-10-17(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyBXGXDSJLHDGVCU-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate?
The IUPAC name of methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate (CID 11299747) is methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate.
What is the SMILES notation for methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate?
The canonical SMILES for methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate is COC(=O)OC1CCCC=C1C#C[Si](C)(C)C.
What is the InChIKey of methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate?
The InChIKey is BXGXDSJLHDGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-15-13(14)16-12-8-6-5-7-11(12)9-10-17(2,3)4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate?
methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate has a molecular weight of 252.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl] carbonate is sourced from PubChem (CID 11299747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).