methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

C20H36O7Si — CID 10621849

IUPACmethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C20H36O7Si/c1-17(2,3)28(9,10)26-14-13-12(23-18(4,5)24-13)11-20(16(21)22-8)15(14)25-19(6,7)27-20/h12-15H,11H2,1-10H3/t12-,13-,14-,15+,20-/m1/s1
InChIKeyJHKGCWDWTFDUBL-BATKGTNTSA-N
MW416.59 g/mol
LogP3.36
Rot. Bonds3

About methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (PubChem CID 10621849) has the molecular formula C20H36O7Si and a molecular weight of 416.59 g/mol. Its IUPAC name is methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
PubChem CID10621849
Molecular FormulaC20H36O7Si
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Namemethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C20H36O7Si/c1-17(2,3)28(9,10)26-14-13-12(23-18(4,5)24-13)11-20(16(21)22-8)15(14)25-19(6,7)27-20/h12-15H,11H2,1-10H3/t12-,13-,14-,15+,20-/m1/s1
InChIKeyJHKGCWDWTFDUBL-BATKGTNTSA-N
XLogP3.36
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Hdeszaggyokpfh-kzffxbsxsa-
CID 21726204
(1S,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11973877
methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
(2'R,3'aS,7'R,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-methoxy-3'a-methylspiro[1,3-dioxolane-2,4'-3,5,6,7-tetrahydro-2H-1-benzofuran]-7'a-carbaldehyde
CID 102276400
(1R,2R,6R,8S)-8-methoxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 135009205
(1R,2R,6R,8S)-8-ethoxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 135009660
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-hydroxyacetate
CID 166449036
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 168333537
Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate
CID 617725
(3'aR,4S,7'R,7'aR)-7'-(methoxymethoxy)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-3a,6,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 10615310
methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10709325
5,5,11,11-Tetramethyl-7-(methylperoxymethyl)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
CID 22081795

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The IUPAC name of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (CID 10621849) is methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.
What is the SMILES notation for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The canonical SMILES for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is COC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2.
What is the InChIKey of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The InChIKey is JHKGCWDWTFDUBL-BATKGTNTSA-N. The full InChI is InChI=1S/C20H36O7Si/c1-17(2,3)28(9,10)26-14-13-12(23-18(4,5)24-13)11-20(16(21)22-8)15(14)25-19(6,7)27-20/h12-15H,11H2,1-10H3/t12-,13-,14-,15+,20-/m1/s1.
What are the key properties of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate has a molecular weight of 416.59 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is sourced from PubChem (CID 10621849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).