methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate

C10H18O4Si — CID 134894264

IUPACmethyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCC[C@]1(C(=O)OC)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-6-10(9(12)13-2)7(8(11)14-10)15(3,4)5/h7H,6H2,1-5H3/t7?,10-/m0/s1
InChIKeyIZHUGMLTZBVHMD-MHPPCMCBSA-N
MW230.34 g/mol
LogP1.57
Rot. Bonds3

About methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate

methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate (PubChem CID 134894264) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
PubChem CID134894264
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Namemethyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
SMILESCC[C@]1(C(=O)OC)OC(=O)C1[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-6-10(9(12)13-2)7(8(11)14-10)15(3,4)5/h7H,6H2,1-5H3/t7?,10-/m0/s1
InChIKeyIZHUGMLTZBVHMD-MHPPCMCBSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
CID 134599672
methyl (2R,3R,4R)-5-(hydroxymethyl)-2,3,4-trimethyl-6-oxooxane-2-carboxylate
CID 10751921
methyl (4S,5S)-5-benzyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
CID 11793583
dimethyl (1S,5R)-5-methyl-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 71730014
dimethyl (2R,3S,4S)-2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate
CID 11258157
dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
CID 24754702
methyl 3-ethyl-2,3-dimethyloxirane-2-carboxylate
CID 12916411
methyl (1S,5R,6R)-6-(4-bromobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 98136866
methyl (3aR,6R,6aS)-6-ethyl-6a-methyl-2,4-dioxo-3a,5-dihydro-3H-furo[2,3-c]pyrrole-6-carboxylate;methyl (3aR,6R,6aS)-6-(hydroxymethyl)-6a-methyl-2,4-dioxo-3a,5-dihydro-3H-furo[2,3-c]pyrrole-6-carboxylate
CID 91539855
methyl (3aS,7aR)-7a-ethyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3a-carboxylate
CID 135012204
methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate
CID 14467262
methyl 3,4,4,5,5-pentamethyl-2-oxooxolane-3-carboxylate
CID 59491984

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The IUPAC name of methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate (CID 134894264) is methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate is CC[C@]1(C(=O)OC)OC(=O)C1[Si](C)(C)C.
What is the InChIKey of methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
The InChIKey is IZHUGMLTZBVHMD-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-6-10(9(12)13-2)7(8(11)14-10)15(3,4)5/h7H,6H2,1-5H3/t7?,10-/m0/s1.
What are the key properties of methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate?
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate has a molecular weight of 230.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate is sourced from PubChem (CID 134894264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).