methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate

C12H24O4Si — CID 10923286

IUPACmethyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1(OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-11(2)8-9(10(13)14-3)12(11,15-4)16-17(5,6)7/h9H,8H2,1-7H3
InChIKeyTZAACEJLEBHYSA-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate

methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate (PubChem CID 10923286) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate
PubChem CID10923286
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namemethyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1(OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-11(2)8-9(10(13)14-3)12(11,15-4)16-17(5,6)7/h9H,8H2,1-7H3
InChIKeyTZAACEJLEBHYSA-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12647169
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 140523837
methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 102102674
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988
methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
CID 134918764
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
CID 138987540
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate?
The IUPAC name of methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate (CID 10923286) is methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate is COC(=O)C1CC(C)(C)C1(OC)O[Si](C)(C)C.
What is the InChIKey of methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate?
The InChIKey is TZAACEJLEBHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(2)8-9(10(13)14-3)12(11,15-4)16-17(5,6)7/h9H,8H2,1-7H3.
What are the key properties of methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate?
methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate has a molecular weight of 260.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate is sourced from PubChem (CID 10923286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).