(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione

C53H80O8Si3 — CID 11468714

IUPAC(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccc(OC)cc1)CC(=O)C#CCCC(=O)[C@H](C)C[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C53H80O8Si3/c1-12-62(13-2,14-3)60-47(40-57-39-43-32-34-45(56-11)35-33-43)37-44(54)26-24-25-31-50(55)42(7)36-51-52(61-63(15-4,16-5)17-6)38-46(59-51)41-58-64(53(8,9)10,48-27-20-18-21-28-48)49-29-22-19-23-30-49/h18-23,27-30,32-35,42,46-47,51-52H,12-17,25,31,36-41H2,1-11H3/t42-,46-,47+,51-,52-/m1/s1
InChIKeyXYCJOHIGKBMITQ-NKXKTNNKSA-N
MW929.47 g/mol
LogP11.06
Rot. Bonds27

About (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione

(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione (PubChem CID 11468714) has the molecular formula C53H80O8Si3 and a molecular weight of 929.47 g/mol. Its IUPAC name is (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione.

Molecular Properties

Compound Name(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione
PubChem CID11468714
Molecular FormulaC53H80O8Si3
Molecular Weight929.47 g/mol
Exact Mass928.52
IUPAC Name(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione
SMILESCC[Si](CC)(CC)O[C@H](COCc1ccc(OC)cc1)CC(=O)C#CCCC(=O)[C@H](C)C[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C53H80O8Si3/c1-12-62(13-2,14-3)60-47(40-57-39-43-32-34-45(56-11)35-33-43)37-44(54)26-24-25-31-50(55)42(7)36-51-52(61-63(15-4,16-5)17-6)38-46(59-51)41-58-64(53(8,9)10,48-27-20-18-21-28-48)49-29-22-19-23-30-49/h18-23,27-30,32-35,42,46-47,51-52H,12-17,25,31,36-41H2,1-11H3/t42-,46-,47+,51-,52-/m1/s1
InChIKeyXYCJOHIGKBMITQ-NKXKTNNKSA-N
XLogP11.06
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.47
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione 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)-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
tert-butyl 2-[(2R,4R,6S)-6-[(Z,6R)-2-hydroxy-4-oxo-7-phenylmethoxy-6-triethylsilyloxyhept-2-enyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]acetate
CID 11250924
(1R,2S)-1-[(3aS,4R,6S,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
CID 102112676
(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one
CID 101118185
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
tert-butyl-[[(2S,3S)-3-[3-[(4-methoxyphenyl)methoxy]prop-1-en-2-yl]oxiran-2-yl]methoxy]-diphenylsilane
CID 11283212
(E,2R,4R,5S,8R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,6,8-trimethylnon-6-en-3-one
CID 11251170
(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
CID 11633468
S-ethyl (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-4-methyl-6-triethylsilyloxyheptanethioate
CID 42631664
tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
CID 10918855
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxymethoxy]-2-methylpent-1-en-3-one
CID 11734175

Frequently Asked Questions

What is the IUPAC name of (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione?
The IUPAC name of (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione (CID 11468714) is (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione.
What is the SMILES notation for (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione?
The canonical SMILES for (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione is CC[Si](CC)(CC)O[C@H](COCc1ccc(OC)cc1)CC(=O)C#CCCC(=O)[C@H](C)C[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione?
The InChIKey is XYCJOHIGKBMITQ-NKXKTNNKSA-N. The full InChI is InChI=1S/C53H80O8Si3/c1-12-62(13-2,14-3)60-47(40-57-39-43-32-34-45(56-11)35-33-43)37-44(54)26-24-25-31-50(55)42(7)36-51-52(61-63(15-4,16-5)17-6)38-46(59-51)41-58-64(53(8,9)10,48-27-20-18-21-28-48)49-29-22-19-23-30-49/h18-23,27-30,32-35,42,46-47,51-52H,12-17,25,31,36-41H2,1-11H3/t42-,46-,47+,51-,52-/m1/s1.
What are the key properties of (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione?
(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione has a molecular weight of 929.47 g/mol, XLogP of 11.06, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione is sourced from PubChem (CID 11468714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).