diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate

C17H30O4Si — CID 552785

IUPACdiethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(C)=C(C[Si](C)(C)C)CC1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-7-20-16(18)14-9-12(3)13(11-22(4,5)6)10-15(14)17(19)21-8-2/h14-15H,7-11H2,1-6H3
InChIKeyLAKBCEMPONHFLM-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.79
Rot. Bonds6

About diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate

diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate (PubChem CID 552785) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate
PubChem CID552785
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namediethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(C)=C(C[Si](C)(C)C)CC1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-7-20-16(18)14-9-12(3)13(11-22(4,5)6)10-15(14)17(19)21-8-2/h14-15H,7-11H2,1-6H3
InChIKeyLAKBCEMPONHFLM-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.79
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 diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate (CID 552785) is diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate is CCOC(=O)C1CC(C)=C(C[Si](C)(C)C)CC1C(=O)OCC.
What is the InChIKey of diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is LAKBCEMPONHFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-20-16(18)14-9-12(3)13(11-22(4,5)6)10-15(14)17(19)21-8-2/h14-15H,7-11H2,1-6H3.
What are the key properties of diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate?
diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 326.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methyl-5-(trimethylsilylmethyl)cyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 552785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).