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

C15H28O4Si — CID 101261284

IUPACmethyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate
SMILESCC[Si](CC)(CC)OCC1=CCCCC1OC(=O)OC
InChIInChI=1S/C15H28O4Si/c1-5-20(6-2,7-3)18-12-13-10-8-9-11-14(13)19-15(16)17-4/h10,14H,5-9,11-12H2,1-4H3
InChIKeyJOYQNOQZXSQFOS-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.27
Rot. Bonds7

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

methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate (PubChem CID 101261284) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate
PubChem CID101261284
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate
SMILESCC[Si](CC)(CC)OCC1=CCCCC1OC(=O)OC
InChIInChI=1S/C15H28O4Si/c1-5-20(6-2,7-3)18-12-13-10-8-9-11-14(13)19-15(16)17-4/h10,14H,5-9,11-12H2,1-4H3
InChIKeyJOYQNOQZXSQFOS-UHFFFAOYSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate?
The IUPAC name of methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate (CID 101261284) is methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate.
What is the SMILES notation for methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate?
The canonical SMILES for methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate is CC[Si](CC)(CC)OCC1=CCCCC1OC(=O)OC.
What is the InChIKey of methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate?
The InChIKey is JOYQNOQZXSQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-5-20(6-2,7-3)18-12-13-10-8-9-11-14(13)19-15(16)17-4/h10,14H,5-9,11-12H2,1-4H3.
What are the key properties of methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate?
methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate has a molecular weight of 300.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [2-(triethylsilyloxymethyl)cyclohex-2-en-1-yl] carbonate is sourced from PubChem (CID 101261284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).