methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate

C40H82O7Si3 — CID 102149616

IUPACmethyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]2O[C@]1(C)CCC(=O)OC
InChIInChI=1S/C40H82O7Si3/c1-18-48(19-2,20-3)47-37-27-35-39(45-40(37,16)24-23-38(41)42-17)36(46-50(31(10)11,32(12)13)33(14)15)26-34(44-35)22-21-25-43-49(28(4)5,29(6)7)30(8)9/h28-37,39H,18-27H2,1-17H3/t34-,35-,36+,37+,39+,40-/m1/s1
InChIKeySQCJMDJSUCVXFD-YOFCSVDMSA-N
MW759.35 g/mol
LogP11.57
Rot. Bonds21

About methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate

methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate (PubChem CID 102149616) has the molecular formula C40H82O7Si3 and a molecular weight of 759.35 g/mol. Its IUPAC name is methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate
PubChem CID102149616
Molecular FormulaC40H82O7Si3
Molecular Weight759.35 g/mol
Exact Mass758.54
IUPAC Namemethyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]2O[C@]1(C)CCC(=O)OC
InChIInChI=1S/C40H82O7Si3/c1-18-48(19-2,20-3)47-37-27-35-39(45-40(37,16)24-23-38(41)42-17)36(46-50(31(10)11,32(12)13)33(14)15)26-34(44-35)22-21-25-43-49(28(4)5,29(6)7)30(8)9/h28-37,39H,18-27H2,1-17H3/t34-,35-,36+,37+,39+,40-/m1/s1
InChIKeySQCJMDJSUCVXFD-YOFCSVDMSA-N
XLogP11.57
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.35
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate with MolForge

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Related Compounds

3-[(1R,3R,4S,6R,8R,10S,12R,13S)-13-hydroxy-1-methyl-4-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]propyl 2,2-dimethylpropanoate
CID 11967133
tert-butyl-[3-[(1S,3R,6S,7R,9S,12R,14R,15S,17R,19R)-6-[tert-butyl(dimethyl)silyl]oxy-6,12-dimethyl-15-tri(propan-2-yl)silyloxy-17-[3-tri(propan-2-yl)silyloxypropyl]-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-7-yl]propoxy]-dimethylsilane
CID 100923567
(2R,3S,4aR,6S,8S,8aR)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-3-ol
CID 10898064
methyl 5-(4-iodo-5,5-dimethyloxolan-2-yl)pentanoate
CID 10521081
(2S)-1-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-5-[(2S,6R)-6-methoxy-2-[(E)-5-tri(propan-2-yl)silyloxypent-1-enyl]-2,5-dihydropyran-6-yl]-2-methylpentan-3-one
CID 102089648
methyl 5-[5-trimethylsilyloxy-4-(3-trimethylsilyloxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
CID 582337
(1S,3R,5S,6R,8S,10R,12S,13R)-6-ethenyl-6-methyl-13-tri(propan-2-yl)silyloxy-12-[2-tri(propan-2-yl)silyloxyethyl]-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol
CID 11411046
methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate
CID 140529967
methyl 3-[(1S,2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]propanoate
CID 101235603
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate
CID 11388218
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate (CID 102149616) is methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate is CC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]2O[C@]1(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate?
The InChIKey is SQCJMDJSUCVXFD-YOFCSVDMSA-N. The full InChI is InChI=1S/C40H82O7Si3/c1-18-48(19-2,20-3)47-37-27-35-39(45-40(37,16)24-23-38(41)42-17)36(46-50(31(10)11,32(12)13)33(14)15)26-34(44-35)22-21-25-43-49(28(4)5,29(6)7)30(8)9/h28-37,39H,18-27H2,1-17H3/t34-,35-,36+,37+,39+,40-/m1/s1.
What are the key properties of methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate?
methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate has a molecular weight of 759.35 g/mol, XLogP of 11.57, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate is sourced from PubChem (CID 102149616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).