trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate

C16H30O4Si — CID 59927284

IUPACtrimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate
SMILESCCC(C)(CC(C)C(=O)OC[Si](C)(C)C)C(=O)CC1CO1
InChIInChI=1S/C16H30O4Si/c1-7-16(3,14(17)8-13-10-19-13)9-12(2)15(18)20-11-21(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeySVSFZAJKBGTYEE-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.21
Rot. Bonds9

About trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate

trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate (PubChem CID 59927284) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate
PubChem CID59927284
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nametrimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate
SMILESCCC(C)(CC(C)C(=O)OC[Si](C)(C)C)C(=O)CC1CO1
InChIInChI=1S/C16H30O4Si/c1-7-16(3,14(17)8-13-10-19-13)9-12(2)15(18)20-11-21(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeySVSFZAJKBGTYEE-UHFFFAOYSA-N
XLogP3.21
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate?
The IUPAC name of trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate (CID 59927284) is trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate.
What is the SMILES notation for trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate?
The canonical SMILES for trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate is CCC(C)(CC(C)C(=O)OC[Si](C)(C)C)C(=O)CC1CO1.
What is the InChIKey of trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate?
The InChIKey is SVSFZAJKBGTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-16(3,14(17)8-13-10-19-13)9-12(2)15(18)20-11-21(4,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate?
trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate has a molecular weight of 314.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 4-ethyl-2,4-dimethyl-6-(oxiran-2-yl)-5-oxohexanoate is sourced from PubChem (CID 59927284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).