(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal

C43H86O7Si2 — CID 10771484

IUPAC(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCC=O)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C43H86O7Si2/c1-8-9-10-11-12-16-19-22-25-38(47-36-45-32-34-51(2,3)4)40-27-29-42(49-40)43-30-28-41(50-43)39(48-37-46-33-35-52(5,6)7)26-23-20-17-14-13-15-18-21-24-31-44/h31,38-43H,8-30,32-37H2,1-7H3/t38-,39-,40-,41-,42-,43-/m1/s1
InChIKeyMNEKLCDRHTZATR-HPHIHSJPSA-N
MW771.33 g/mol
LogP12.11
Rot. Bonds35

About (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal

(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal (PubChem CID 10771484) has the molecular formula C43H86O7Si2 and a molecular weight of 771.33 g/mol. Its IUPAC name is (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal.

Molecular Properties

Compound Name(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal
PubChem CID10771484
Molecular FormulaC43H86O7Si2
Molecular Weight771.33 g/mol
Exact Mass770.59
IUPAC Name(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCC=O)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C43H86O7Si2/c1-8-9-10-11-12-16-19-22-25-38(47-36-45-32-34-51(2,3)4)40-27-29-42(49-40)43-30-28-41(50-43)39(48-37-46-33-35-52(5,6)7)26-23-20-17-14-13-15-18-21-24-31-44/h31,38-43H,8-30,32-37H2,1-7H3/t38-,39-,40-,41-,42-,43-/m1/s1
InChIKeyMNEKLCDRHTZATR-HPHIHSJPSA-N
XLogP12.11
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds35
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.33
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal?
The IUPAC name of (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal (CID 10771484) is (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal.
What is the SMILES notation for (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal?
The canonical SMILES for (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal is CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCC=O)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal?
The InChIKey is MNEKLCDRHTZATR-HPHIHSJPSA-N. The full InChI is InChI=1S/C43H86O7Si2/c1-8-9-10-11-12-16-19-22-25-38(47-36-45-32-34-51(2,3)4)40-27-29-42(49-40)43-30-28-41(50-43)39(48-37-46-33-35-52(5,6)7)26-23-20-17-14-13-15-18-21-24-31-44/h31,38-43H,8-30,32-37H2,1-7H3/t38-,39-,40-,41-,42-,43-/m1/s1.
What are the key properties of (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal?
(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal has a molecular weight of 771.33 g/mol, XLogP of 12.11, 35 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal is sourced from PubChem (CID 10771484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).