ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate

C21H38O5Si — CID 139255191

IUPACethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
SMILESCCOC(=O)[C@]12C[C@@H](O)[C@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O5Si/c1-7-24-19(23)21-13-16(22)20(6,26-21)15-12-11-14(5)17(15)18(21)25-27(8-2,9-3)10-4/h14-18,22H,7-13H2,1-6H3/t14-,15-,16-,17-,18-,20-,21-/m1/s1
InChIKeySATTULPTGXMKCR-KWVZFDLSSA-N
MW398.62 g/mol
LogP3.89
Rot. Bonds7

About ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate

ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate (PubChem CID 139255191) has the molecular formula C21H38O5Si and a molecular weight of 398.62 g/mol. Its IUPAC name is ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
PubChem CID139255191
Molecular FormulaC21H38O5Si
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Nameethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
SMILESCCOC(=O)[C@]12C[C@@H](O)[C@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O5Si/c1-7-24-19(23)21-13-16(22)20(6,26-21)15-12-11-14(5)17(15)18(21)25-27(8-2,9-3)10-4/h14-18,22H,7-13H2,1-6H3/t14-,15-,16-,17-,18-,20-,21-/m1/s1
InChIKeySATTULPTGXMKCR-KWVZFDLSSA-N
XLogP3.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate with MolForge

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Related Compounds

(1S,2S,3R,5S,6R,7S,9S,13S,16R)-5-hydroxy-3,7,11,11,13-pentamethyl-7,16-bis(trimethylsilyloxy)-10,12,15-trioxatetracyclo[7.6.1.02,6.013,16]hexadecane-4,14-dione
CID 16046404
[(1R,2S,5S,6S,7R,8S,10S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 44603807
ethyl (1S,2R,5R,6R,7S,8R,10R)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-10-carboxylate
CID 46849621
ethyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-10-oxo-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
CID 46900163
(7-Hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 75079183
[(2S,5S,6S,7R,8S,10S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 134942769
[(1aR,3R,4S,4aR,7R,7aR,7bS)-1a-acetyl-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxiren-3-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 134947242
ethyl (1R,2R,5R,6R,7R,8R,10R)-1,5-dimethyl-7,10-bis(triethylsilyloxy)-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
CID 139255193
3-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
CID 59917216
(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-carboxylic acid
CID 11538323
methyl (2S,3aR,6S,7S,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2,2-dimethylpropanoyloxy)-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylate
CID 17759475
[(1S,2R,5R,6R,7S,8R,10R)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 71682856

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate?
The IUPAC name of ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate (CID 139255191) is ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate.
What is the SMILES notation for ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate?
The canonical SMILES for ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate is CCOC(=O)[C@]12C[C@@H](O)[C@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate?
The InChIKey is SATTULPTGXMKCR-KWVZFDLSSA-N. The full InChI is InChI=1S/C21H38O5Si/c1-7-24-19(23)21-13-16(22)20(6,26-21)15-12-11-14(5)17(15)18(21)25-27(8-2,9-3)10-4/h14-18,22H,7-13H2,1-6H3/t14-,15-,16-,17-,18-,20-,21-/m1/s1.
What are the key properties of ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate?
ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate has a molecular weight of 398.62 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate is sourced from PubChem (CID 139255191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).