[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate

C44H66O6Si — CID 11468214

IUPAC[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
SMILESC[C@H](C[C@H](C)C[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOCc1ccccc1)C[C@H](C)[C@@H](O)COC(=O)C(C)(C)C
InChIInChI=1S/C44H66O6Si/c1-33(27-35(3)40(45)30-48-42(46)43(5,6)7)26-34(2)28-36(4)41(49-32-47-29-37-20-14-11-15-21-37)31-50-51(44(8,9)10,38-22-16-12-17-23-38)39-24-18-13-19-25-39/h11-25,33-36,40-41,45H,26-32H2,1-10H3/t33-,34+,35+,36+,40+,41-/m1/s1
InChIKeyHAIVGUCODYMNBE-ZIDQLIMMSA-N
MW719.09 g/mol
LogP8.79
Rot. Bonds20

About [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate

[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate (PubChem CID 11468214) has the molecular formula C44H66O6Si and a molecular weight of 719.09 g/mol. Its IUPAC name is [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
PubChem CID11468214
Molecular FormulaC44H66O6Si
Molecular Weight719.09 g/mol
Exact Mass718.46
IUPAC Name[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
SMILESC[C@H](C[C@H](C)C[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOCc1ccccc1)C[C@H](C)[C@@H](O)COC(=O)C(C)(C)C
InChIInChI=1S/C44H66O6Si/c1-33(27-35(3)40(45)30-48-42(46)43(5,6)7)26-34(2)28-36(4)41(49-32-47-29-37-20-14-11-15-21-37)31-50-51(44(8,9)10,38-22-16-12-17-23-38)39-24-18-13-19-25-39/h11-25,33-36,40-41,45H,26-32H2,1-10H3/t33-,34+,35+,36+,40+,41-/m1/s1
InChIKeyHAIVGUCODYMNBE-ZIDQLIMMSA-N
XLogP8.79
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.09
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

(3R,5S,7S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyl-8-(phenylmethoxymethoxy)nonan-1-ol
CID 101267153
methyl (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11081908
methyl (2S,3S,4S)-2-benzyl-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11082622
(Z,2R,7R)-8-[tert-butyl(diphenyl)silyl]oxy-7-hydroxy-2-(phenylmethoxymethoxy)oct-4-enoic acid
CID 11038911
tert-butyl (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-4-(phenylmethoxymethoxy)butanoate
CID 100990271
(2R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-6-methyl-2-phenylmethoxyheptan-3-one
CID 102309188
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
[(2R,3S,5R)-2,5-dihydroxy-3-(methoxymethoxy)-8-phenylmethoxyoct-6-ynyl] 2,2-dimethylpropanoate
CID 10787611
(2S,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
[(E,2R,3R,4S,6R)-2-hydroxy-4,6,8-trimethyl-3-phenylmethoxydec-8-enyl] 2,2-dimethylpropanoate
CID 11350243
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate (CID 11468214) is [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate is C[C@H](C[C@H](C)C[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOCc1ccccc1)C[C@H](C)[C@@H](O)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate?
The InChIKey is HAIVGUCODYMNBE-ZIDQLIMMSA-N. The full InChI is InChI=1S/C44H66O6Si/c1-33(27-35(3)40(45)30-48-42(46)43(5,6)7)26-34(2)28-36(4)41(49-32-47-29-37-20-14-11-15-21-37)31-50-51(44(8,9)10,38-22-16-12-17-23-38)39-24-18-13-19-25-39/h11-25,33-36,40-41,45H,26-32H2,1-10H3/t33-,34+,35+,36+,40+,41-/m1/s1.
What are the key properties of [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate?
[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate has a molecular weight of 719.09 g/mol, XLogP of 8.79, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11468214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).