(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol

C44H90O8Si2 — CID 10533375

IUPAC(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H](O)CO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H90O8Si2/c1-8-9-10-11-12-16-19-22-25-39(49-36-47-31-33-53(2,3)4)41-27-29-43(51-41)44-30-28-42(52-44)40(50-37-48-32-34-54(5,6)7)26-23-20-17-14-13-15-18-21-24-38(46)35-45/h38-46H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1
InChIKeyMQONNCXOEIGMEV-DQVPDUJDSA-N
MW803.37 g/mol
LogP11.26
Rot. Bonds36

About (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol

(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol (PubChem CID 10533375) has the molecular formula C44H90O8Si2 and a molecular weight of 803.37 g/mol. Its IUPAC name is (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol.

Molecular Properties

Compound Name(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol
PubChem CID10533375
Molecular FormulaC44H90O8Si2
Molecular Weight803.37 g/mol
Exact Mass802.62
IUPAC Name(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H](O)CO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H90O8Si2/c1-8-9-10-11-12-16-19-22-25-39(49-36-47-31-33-53(2,3)4)41-27-29-43(51-41)44-30-28-42(52-44)40(50-37-48-32-34-54(5,6)7)26-23-20-17-14-13-15-18-21-24-38(46)35-45/h38-46H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1
InChIKeyMQONNCXOEIGMEV-DQVPDUJDSA-N
XLogP11.26
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.37
LogP ≤ 511.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol?
The IUPAC name of (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol (CID 10533375) is (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol.
What is the SMILES notation for (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol?
The canonical SMILES for (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol is CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H](O)CO)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol?
The InChIKey is MQONNCXOEIGMEV-DQVPDUJDSA-N. The full InChI is InChI=1S/C44H90O8Si2/c1-8-9-10-11-12-16-19-22-25-39(49-36-47-31-33-53(2,3)4)41-27-29-43(51-41)44-30-28-42(52-44)40(50-37-48-32-34-54(5,6)7)26-23-20-17-14-13-15-18-21-24-38(46)35-45/h38-46H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1.
What are the key properties of (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol?
(2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol has a molecular weight of 803.37 g/mol, XLogP of 11.26, 36 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,13R)-13-(2-trimethylsilylethoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecane-1,2-diol is sourced from PubChem (CID 10533375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).