[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate

C30H60O6Si2 — CID 11455904

IUPAC[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate
SMILESCCCCC[C@H](/C=C/[C@H](/C=C/[C@H](O)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O6Si2/c1-13-14-15-16-27(36-38(11,12)30(5,6)7)20-19-26(35-24-33-21-22-37(8,9)10)18-17-25(31)23-34-28(32)29(2,3)4/h17-20,25-27,31H,13-16,21-24H2,1-12H3/b18-17+,20-19+/t25-,26-,27+/m0/s1
InChIKeyAPIBMQWCKMCNGJ-XYMHWGHBSA-N
MW572.98 g/mol
LogP7.72
Rot. Bonds18

About [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate

[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate (PubChem CID 11455904) has the molecular formula C30H60O6Si2 and a molecular weight of 572.98 g/mol. Its IUPAC name is [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate
PubChem CID11455904
Molecular FormulaC30H60O6Si2
Molecular Weight572.98 g/mol
Exact Mass572.39
IUPAC Name[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate
SMILESCCCCC[C@H](/C=C/[C@H](/C=C/[C@H](O)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O6Si2/c1-13-14-15-16-27(36-38(11,12)30(5,6)7)20-19-26(35-24-33-21-22-37(8,9)10)18-17-25(31)23-34-28(32)29(2,3)4/h17-20,25-27,31H,13-16,21-24H2,1-12H3/b18-17+,20-19+/t25-,26-,27+/m0/s1
InChIKeyAPIBMQWCKMCNGJ-XYMHWGHBSA-N
XLogP7.72
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.98
LogP ≤ 57.72
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
CID 10545420
[(1E,3S,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undeca-1,4-dien-3-yl] acetate
CID 10646784
[(2S,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
CID 10688840
[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
CID 10712499
butyl (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6-(2-trimethylsilylethoxymethoxy)hept-4-enoate
CID 10719390
[(2S,3E,5S,6E,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxytrideca-3,6-dienyl] 2,2-dimethylpropanoate
CID 10816635
(1E,3S,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undeca-1,4-dien-3-ol
CID 10834724
methyl (E,4R,5R,6R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,6-bis(methoxymethoxy)octadec-2-enoate
CID 10995322
[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] 2,2-dimethylpropanoate
CID 11791754
[(E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)dodec-5-enyl] 2,2-dimethylpropanoate
CID 17748156
[(E,2S)-7-[(3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3,6-dihydro-2H-pyran-6-yl]hept-6-en-2-yl] acetate
CID 53483798
(2E,7S,8E,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-7,10-bis(methoxymethoxy)pentadeca-2,8,14-trienoic acid
CID 53494210

Frequently Asked Questions

What is the IUPAC name of [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate (CID 11455904) is [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate is CCCCC[C@H](/C=C/[C@H](/C=C/[C@H](O)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate?
The InChIKey is APIBMQWCKMCNGJ-XYMHWGHBSA-N. The full InChI is InChI=1S/C30H60O6Si2/c1-13-14-15-16-27(36-38(11,12)30(5,6)7)20-19-26(35-24-33-21-22-37(8,9)10)18-17-25(31)23-34-28(32)29(2,3)4/h17-20,25-27,31H,13-16,21-24H2,1-12H3/b18-17+,20-19+/t25-,26-,27+/m0/s1.
What are the key properties of [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate?
[(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate has a molecular weight of 572.98 g/mol, XLogP of 7.72, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3E,5S,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5-(2-trimethylsilylethoxymethoxy)trideca-3,6-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11455904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).