methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate

C17H34O3Si — CID 140523837

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)[C@]1(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-12(2)17(20-21(9,10)15(3,4)5)13(14(18)19-8)11-16(17,6)7/h12-13H,11H2,1-10H3/t13?,17-/m0/s1
InChIKeyXEALEVNAJPAQME-RUINGEJQSA-N
MW314.54 g/mol
LogP4.62
Rot. Bonds4

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate (PubChem CID 140523837) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
PubChem CID140523837
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)[C@]1(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-12(2)17(20-21(9,10)15(3,4)5)13(14(18)19-8)11-16(17,6)7/h12-13H,11H2,1-10H3/t13?,17-/m0/s1
InChIKeyXEALEVNAJPAQME-RUINGEJQSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
CID 134918764
methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate
CID 10923286
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
CID 134918792
methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12647169
methyl (1R,3S,4R,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6,10,10-trimethyl-9-oxotricyclo[6.3.0.03,6]undecane-4-carboxylate
CID 135016050
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl (3aR,4S,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 102392357
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
CID 10935487
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
CID 134835259
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
cis-methyl (1R,2R)-2-bis[di(propan-2-yl)amino]phosphinothioyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 102025933

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate (CID 140523837) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate is COC(=O)C1CC(C)(C)[C@]1(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate?
The InChIKey is XEALEVNAJPAQME-RUINGEJQSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-12(2)17(20-21(9,10)15(3,4)5)13(14(18)19-8)11-16(17,6)7/h12-13H,11H2,1-10H3/t13?,17-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate has a molecular weight of 314.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 140523837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).