ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate

C37H58O9Si — CID 11061393

IUPACethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](O[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C)[C@@H](C)CO[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C37H58O9Si/c1-12-42-33(38)21-32(28-13-17-30(39-6)18-14-28)45-34(25(3)23-44-47(9,10)11)26(4)36(41-8)27(5)35-24(2)22-43-37(46-35)29-15-19-31(40-7)20-16-29/h13-20,24-27,32,34-37H,12,21-23H2,1-11H3/t24-,25+,26-,27+,32+,34+,35-,36-,37-/m1/s1
InChIKeyZBTMALTUFVYJGP-PDUNQSHYSA-N
MW674.95 g/mol
LogP7.61
Rot. Bonds18

About ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate

ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate (PubChem CID 11061393) has the molecular formula C37H58O9Si and a molecular weight of 674.95 g/mol. Its IUPAC name is ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate
PubChem CID11061393
Molecular FormulaC37H58O9Si
Molecular Weight674.95 g/mol
Exact Mass674.39
IUPAC Nameethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](O[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C)[C@@H](C)CO[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C37H58O9Si/c1-12-42-33(38)21-32(28-13-17-30(39-6)18-14-28)45-34(25(3)23-44-47(9,10)11)26(4)36(41-8)27(5)35-24(2)22-43-37(46-35)29-15-19-31(40-7)20-16-29/h13-20,24-27,32,34-37H,12,21-23H2,1-11H3/t24-,25+,26-,27+,32+,34+,35-,36-,37-/m1/s1
InChIKeyZBTMALTUFVYJGP-PDUNQSHYSA-N
XLogP7.61
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.95
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,5S)-4-[(2S,4R)-3-methoxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pentan-2-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-dioxane
CID 11733998
(2R,3R,4S)-4-[(4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentane-1,3-diol
CID 11174734
(3S,4R)-4-[(2R,4R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pentane-1,3-diol
CID 10662734
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609
(2R)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propanal
CID 87897708
N-[(E,4R,5R,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide
CID 78350442
(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
CID 10661314
tert-butyl-[(Z,2S,3S,4R,8R,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-iodo-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane
CID 11147170
(4S,5S)-2-(4-methoxyphenyl)-5-methyl-4-[(2S)-pent-4-en-2-yl]-1,3-dioxane
CID 89375604
(2R,5S)-5-hydroxy-2-[(2S,4S,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-7-phenylheptan-3-one
CID 102421583
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate (CID 11061393) is ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate is CCOC(=O)C[C@H](O[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C)[C@@H](C)CO[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is ZBTMALTUFVYJGP-PDUNQSHYSA-N. The full InChI is InChI=1S/C37H58O9Si/c1-12-42-33(38)21-32(28-13-17-30(39-6)18-14-28)45-34(25(3)23-44-47(9,10)11)26(4)36(41-8)27(5)35-24(2)22-43-37(46-35)29-15-19-31(40-7)20-16-29/h13-20,24-27,32,34-37H,12,21-23H2,1-11H3/t24-,25+,26-,27+,32+,34+,35-,36-,37-/m1/s1.
What are the key properties of ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate?
ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 674.95 g/mol, XLogP of 7.61, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(2S,3S,4S,5R,6R)-5-methoxy-6-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4-dimethyl-1-trimethylsilyloxyheptan-3-yl]oxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 11061393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).