[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate

C55H76O13Si2 — CID 11136861

IUPAC[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate
SMILESCO[C@]1(COCc2ccccc2)O[C@H](CO[C@]23CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]([C@@H](COC(C)=O)O2)[C@@H]3OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C55H76O13Si2/c1-39(2)69(40(3)4)64-38-55(53(62-34-47-29-21-14-22-30-47)51(48(66-55)35-59-43(9)56)67-70(68-69,41(5)6)42(7)8)63-36-49-50(60-32-45-25-17-12-18-26-45)52(61-33-46-27-19-13-20-28-46)54(57-10,65-49)37-58-31-44-23-15-11-16-24-44/h11-30,39-42,48-53H,31-38H2,1-10H3/t48-,49-,50-,51-,52+,53+,54-,55-/m1/s1
InChIKeyFMBINFLPVDZMOB-ILSQFQJVSA-N
MW1001.37 g/mol
LogP10.33
Rot. Bonds23

About [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate

[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate (PubChem CID 11136861) has the molecular formula C55H76O13Si2 and a molecular weight of 1001.37 g/mol. Its IUPAC name is [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate
PubChem CID11136861
Molecular FormulaC55H76O13Si2
Molecular Weight1001.37 g/mol
Exact Mass1000.48
IUPAC Name[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate
SMILESCO[C@]1(COCc2ccccc2)O[C@H](CO[C@]23CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]([C@@H](COC(C)=O)O2)[C@@H]3OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C55H76O13Si2/c1-39(2)69(40(3)4)64-38-55(53(62-34-47-29-21-14-22-30-47)51(48(66-55)35-59-43(9)56)67-70(68-69,41(5)6)42(7)8)63-36-49-50(60-32-45-25-17-12-18-26-45)52(61-33-46-27-19-13-20-28-46)54(57-10,65-49)37-58-31-44-23-15-11-16-24-44/h11-30,39-42,48-53H,31-38H2,1-10H3/t48-,49-,50-,51-,52+,53+,54-,55-/m1/s1
InChIKeyFMBINFLPVDZMOB-ILSQFQJVSA-N
XLogP10.33
TPSA127.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.37
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane
CID 11170813
[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
[(1R,3R,4R,5R,6R,7R)-7-acetyloxy-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-3-yl]methyl acetate
CID 102507208
(2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102575541
[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 173173026
[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl] acetate
CID 23656418
[(2S,3aR,5R,6R,7S,7aR)-2-[[(2R,3R,4R,5R)-5-[[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
CID 102180543
[(2S,3S,4R,5R)-4,5-diacetyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolan-2-yl]methyl acetate
CID 66906843
(6aR,8S,9S,9aR)-8-phenylmethoxy-2,2,4,4-tetra(propan-2-yl)spiro[6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocine-7,1'-cyclopropane]-9-ol
CID 86718973
[(2R,3S,4S,5R,6R)-3-acetyloxy-6-[(2R,3S,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11858571
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20,25-bis(acetyloxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,30,35-tetrakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl acetate
CID 44606511
(3R,4S,5S)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 51350664

Frequently Asked Questions

What is the IUPAC name of [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate?
The IUPAC name of [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate (CID 11136861) is [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate.
What is the SMILES notation for [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate?
The canonical SMILES for [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate is CO[C@]1(COCc2ccccc2)O[C@H](CO[C@]23CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]([C@@H](COC(C)=O)O2)[C@@H]3OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate?
The InChIKey is FMBINFLPVDZMOB-ILSQFQJVSA-N. The full InChI is InChI=1S/C55H76O13Si2/c1-39(2)69(40(3)4)64-38-55(53(62-34-47-29-21-14-22-30-47)51(48(66-55)35-59-43(9)56)67-70(68-69,41(5)6)42(7)8)63-36-49-50(60-32-45-25-17-12-18-26-45)52(61-33-46-27-19-13-20-28-46)54(57-10,65-49)37-58-31-44-23-15-11-16-24-44/h11-30,39-42,48-53H,31-38H2,1-10H3/t48-,49-,50-,51-,52+,53+,54-,55-/m1/s1.
What are the key properties of [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate?
[(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate has a molecular weight of 1001.37 g/mol, XLogP of 10.33, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R,10R,11S)-8-[[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methyl acetate is sourced from PubChem (CID 11136861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).