ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate

C19H34O6Si — CID 11069112

IUPACethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3[C@H]21
InChIInChI=1S/C19H34O6Si/c1-9-21-17(20)13-12-15(13)23-11(10-22-26(7,8)18(2,3)4)14-16(12)25-19(5,6)24-14/h11-16H,9-10H2,1-8H3/t11-,12+,13+,14+,15+,16-/m1/s1
InChIKeyZXKXDLZPTXESOI-QOTRURMSSA-N
MW386.56 g/mol
LogP3.10
Rot. Bonds5

About ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate

ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate (PubChem CID 11069112) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate
PubChem CID11069112
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Nameethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3[C@H]21
InChIInChI=1S/C19H34O6Si/c1-9-21-17(20)13-12-15(13)23-11(10-22-26(7,8)18(2,3)4)14-16(12)25-19(5,6)24-14/h11-16H,9-10H2,1-8H3/t11-,12+,13+,14+,15+,16-/m1/s1
InChIKeyZXKXDLZPTXESOI-QOTRURMSSA-N
XLogP3.10
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate with MolForge

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Related Compounds

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
methyl 2-[(2R,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
CID 24862450
ethyl (1S,3S,4S,4'R,5R,5'R,6S,6'R)-4',5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5'-dimethyl-6'-propan-2-ylspiro[2-oxabicyclo[4.1.0]heptane-3,2'-oxane]-1-carboxylate
CID 134969622
6-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one
CID 134974004
methyl 2-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2-methoxy-3-methylcyclopropane-1-carboxylate
CID 134974030
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
[(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-8-oxo-3,7-dioxatricyclo[4.3.0.02,9]nonan-4-yl]methyl acetate
CID 101255573
(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101270025
methyl (1R,2S,3S,4S,6R,7S)-9,9-ditert-butyl-6-(hydroxymethyl)-5,8,10-trioxa-9-silatricyclo[5.3.0.02,4]decane-3-carboxylate
CID 57954314
ethyl (1R,2S,3S,4S,6R,7S)-9,9-ditert-butyl-6-(hydroxymethyl)-5,8,10-trioxa-9-silatricyclo[5.3.0.02,4]decane-3-carboxylate
CID 57954318
ethyl (1R,2S,6R,7S)-9,9-ditert-butyl-6-(hydroxymethyl)-5,8,10-trioxa-9-silatricyclo[5.3.0.02,4]decane-3-carboxylate
CID 143869460
2-[(2'S,3'S,4'S,5R,7S)-2-ethyl-4',7-dimethyl-3'-triethylsilyloxyspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,6'-oxane]-2'-yl]acetic acid
CID 173783911

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate?
The IUPAC name of ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate (CID 11069112) is ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate.
What is the SMILES notation for ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate?
The canonical SMILES for ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate is CCOC(=O)[C@@H]1[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3[C@H]21.
What is the InChIKey of ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate?
The InChIKey is ZXKXDLZPTXESOI-QOTRURMSSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-9-21-17(20)13-12-15(13)23-11(10-22-26(7,8)18(2,3)4)14-16(12)25-19(5,6)24-14/h11-16H,9-10H2,1-8H3/t11-,12+,13+,14+,15+,16-/m1/s1.
What are the key properties of ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate?
ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate has a molecular weight of 386.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,3S,4S,6R,7R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-5,8,10-trioxatricyclo[5.3.0.02,4]decane-3-carboxylate is sourced from PubChem (CID 11069112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).