methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate

C16H30O3Si — CID 134918764

IUPACmethyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]2(C)CCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)19-16-10-8-9-15(16,4)11-12(16)13(17)18-5/h12H,8-11H2,1-7H3/t12-,15-,16-/m0/s1
InChIKeyYIBUGCYAWUYLJE-RCBQFDQVSA-N
MW298.50 g/mol
LogP4.13
Rot. Bonds3

About methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate

methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate (PubChem CID 134918764) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
PubChem CID134918764
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namemethyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]2(C)CCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)19-16-10-8-9-15(16,4)11-12(16)13(17)18-5/h12H,8-11H2,1-7H3/t12-,15-,16-/m0/s1
InChIKeyYIBUGCYAWUYLJE-RCBQFDQVSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.13
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

(2,3,4,5,6-pentafluorophenyl) (1S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[4.2.0]octane-7-carboxylate
CID 134919056
(2,3,4,5,6-pentafluorophenyl) (1S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[5.2.0]nonane-8-carboxylate
CID 134918225
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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 140523837
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
CID 134918792
methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
CID 134835259
methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12647169
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 2-methoxy-3,3-dimethyl-2-trimethylsilyloxycyclobutane-1-carboxylate
CID 10923286
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

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate?
The IUPAC name of methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate (CID 134918764) is methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate.
What is the SMILES notation for methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate?
The canonical SMILES for methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate is COC(=O)[C@@H]1C[C@]2(C)CCC[C@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate?
The InChIKey is YIBUGCYAWUYLJE-RCBQFDQVSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-14(2,3)20(6,7)19-16-10-8-9-15(16,4)11-12(16)13(17)18-5/h12H,8-11H2,1-7H3/t12-,15-,16-/m0/s1.
What are the key properties of methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate?
methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate has a molecular weight of 298.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate is sourced from PubChem (CID 134918764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).