2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane

C49H104O9Si4 — CID 10510115

IUPAC2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](CCCCC[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/C49H104O9Si4/c1-16-17-24-42(53-39-50-33-36-59(5,6)7)25-20-18-21-26-43(54-40-51-34-37-60(8,9)10)45-28-30-47(57-45)48-31-29-46(58-48)44(55-41-52-35-38-61(11,12)13)27-22-19-23-32-56-62(14,15)49(2,3)4/h42-48H,16-41H2,1-15H3/t42-,43+,44+,45+,46+,47+,48+/m0/s1
InChIKeyZKSMKEIDQWHGON-BGOYLHQVSA-N
MW949.71 g/mol
LogP13.90
Rot. Bonds37

About 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane

2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane (PubChem CID 10510115) has the molecular formula C49H104O9Si4 and a molecular weight of 949.71 g/mol. Its IUPAC name is 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
PubChem CID10510115
Molecular FormulaC49H104O9Si4
Molecular Weight949.71 g/mol
Exact Mass948.68
IUPAC Name2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](CCCCC[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/C49H104O9Si4/c1-16-17-24-42(53-39-50-33-36-59(5,6)7)25-20-18-21-26-43(54-40-51-34-37-60(8,9)10)45-28-30-47(57-45)48-31-29-46(58-48)44(55-41-52-35-38-61(11,12)13)27-22-19-23-32-56-62(14,15)49(2,3)4/h42-48H,16-41H2,1-15H3/t42-,43+,44+,45+,46+,47+,48+/m0/s1
InChIKeyZKSMKEIDQWHGON-BGOYLHQVSA-N
XLogP13.90
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds37
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.71
LogP ≤ 513.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane (CID 10510115) is 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane is CCCC[C@@H](CCCCC[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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is ZKSMKEIDQWHGON-BGOYLHQVSA-N. The full InChI is InChI=1S/C49H104O9Si4/c1-16-17-24-42(53-39-50-33-36-59(5,6)7)25-20-18-21-26-43(54-40-51-34-37-60(8,9)10)45-28-30-47(57-45)48-31-29-46(58-48)44(55-41-52-35-38-61(11,12)13)27-22-19-23-32-56-62(14,15)49(2,3)4/h42-48H,16-41H2,1-15H3/t42-,43+,44+,45+,46+,47+,48+/m0/s1.
What are the key properties of 2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane?
2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 949.71 g/mol, XLogP of 13.90, 37 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-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10510115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).