ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate

C13H25NO2Si — CID 67048937

IUPACethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCC(N(C)[Si](C)(C)C)CC1
InChIInChI=1S/C13H25NO2Si/c1-6-16-13(15)11-7-9-12(10-8-11)14(2)17(3,4)5/h7,12H,6,8-10H2,1-5H3
InChIKeyBJSHQOHZUKRRJL-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.80
Rot. Bonds4

About ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate

ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate (PubChem CID 67048937) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate
PubChem CID67048937
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Nameethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCC(N(C)[Si](C)(C)C)CC1
InChIInChI=1S/C13H25NO2Si/c1-6-16-13(15)11-7-9-12(10-8-11)14(2)17(3,4)5/h7,12H,6,8-10H2,1-5H3
InChIKeyBJSHQOHZUKRRJL-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate?
The IUPAC name of ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate (CID 67048937) is ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate is CCOC(=O)C1=CCC(N(C)[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate?
The InChIKey is BJSHQOHZUKRRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-6-16-13(15)11-7-9-12(10-8-11)14(2)17(3,4)5/h7,12H,6,8-10H2,1-5H3.
What are the key properties of ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate?
ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate has a molecular weight of 255.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(trimethylsilyl)amino]cyclohexene-1-carboxylate is sourced from PubChem (CID 67048937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).