2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane

C49H102O9Si4 — CID 10510109

IUPAC2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
SMILESCCCCC[C@@H](CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C49H102O9Si4/c1-16-17-19-24-42(53-39-50-33-36-59(5,6)7)25-21-22-27-44(55-41-52-35-38-61(11,12)13)46-29-31-48(58-46)47-30-28-45(57-47)43(54-40-51-34-37-60(8,9)10)26-20-18-23-32-56-62(14,15)49(2,3)4/h22,27,42-48H,16-21,23-26,28-41H2,1-15H3/b27-22+/t42-,43+,44+,45+,46+,47+,48+/m0/s1
InChIKeyAGVPTVPMCWAXPO-PQAPHTCVSA-N
MW947.69 g/mol
LogP13.67
Rot. Bonds36

About 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane

2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane (PubChem CID 10510109) has the molecular formula C49H102O9Si4 and a molecular weight of 947.69 g/mol. Its IUPAC name is 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
PubChem CID10510109
Molecular FormulaC49H102O9Si4
Molecular Weight947.69 g/mol
Exact Mass946.66
IUPAC Name2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
SMILESCCCCC[C@@H](CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C49H102O9Si4/c1-16-17-19-24-42(53-39-50-33-36-59(5,6)7)25-21-22-27-44(55-41-52-35-38-61(11,12)13)46-29-31-48(58-46)47-30-28-45(57-47)43(54-40-51-34-37-60(8,9)10)26-20-18-23-32-56-62(14,15)49(2,3)4/h22,27,42-48H,16-21,23-26,28-41H2,1-15H3/b27-22+/t42-,43+,44+,45+,46+,47+,48+/m0/s1
InChIKeyAGVPTVPMCWAXPO-PQAPHTCVSA-N
XLogP13.67
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.69
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane (CID 10510109) is 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane is CCCCC[C@@H](CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is AGVPTVPMCWAXPO-PQAPHTCVSA-N. The full InChI is InChI=1S/C49H102O9Si4/c1-16-17-19-24-42(53-39-50-33-36-59(5,6)7)25-21-22-27-44(55-41-52-35-38-61(11,12)13)46-29-31-48(58-46)47-30-28-45(57-47)43(54-40-51-34-37-60(8,9)10)26-20-18-23-32-56-62(14,15)49(2,3)4/h22,27,42-48H,16-21,23-26,28-41H2,1-15H3/b27-22+/t42-,43+,44+,45+,46+,47+,48+/m0/s1.
What are the key properties of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 947.69 g/mol, XLogP of 13.67, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).