methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate

C34H64O5Si2 — CID 138969500

IUPACmethyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate
SMILESCOC(=O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO
InChIInChI=1S/C34H64O5Si2/c1-24(18-17-19-26(3)31(30(7)23-35)38-40(12,13)14)20-27(4)32(39-41(15,16)34(8,9)10)28(5)21-25(2)22-29(6)33(36)37-11/h17-19,21-22,26-28,30-32,35H,20,23H2,1-16H3/b19-17+,24-18+,25-21+,29-22+/t26-,27-,28+,30-,31-,32-/m0/s1
InChIKeyOWOIHFUTQMYRCK-ZESHAYOJSA-N
MW609.05 g/mol
LogP9.09
Rot. Bonds16

About methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate

methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate (PubChem CID 138969500) has the molecular formula C34H64O5Si2 and a molecular weight of 609.05 g/mol. Its IUPAC name is methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate
PubChem CID138969500
Molecular FormulaC34H64O5Si2
Molecular Weight609.05 g/mol
Exact Mass608.43
IUPAC Namemethyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate
SMILESCOC(=O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO
InChIInChI=1S/C34H64O5Si2/c1-24(18-17-19-26(3)31(30(7)23-35)38-40(12,13)14)20-27(4)32(39-41(15,16)34(8,9)10)28(5)21-25(2)22-29(6)33(36)37-11/h17-19,21-22,26-28,30-32,35H,20,23H2,1-16H3/b19-17+,24-18+,25-21+,29-22+/t26-,27-,28+,30-,31-,32-/m0/s1
InChIKeyOWOIHFUTQMYRCK-ZESHAYOJSA-N
XLogP9.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.05
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate with MolForge

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Related Compounds

methyl (2E,5R,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11337693
methyl (2E,5S,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11372151
methyl (2E,5S,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 173665169
methyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyloct-2-enoate
CID 10958075
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
methyl (E,4R,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-enoate
CID 11290062
methyl (2E,4S,5R,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethyldeca-2,8-dienoate
CID 11394194
(2S,3S)-2-[(2S,5S,6R,7S,8Z,10Z,12E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-methyltetradeca-8,10,12-trien-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 15965829
(2E,4R,6E,8E,10S,11R,12S)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10,12-hexamethyl-5-oxodocosa-2,6,8-trienoic acid
CID 16062488
methyl (2E,4E,6R,7R,8R,9E,11E,14E)-2-(acetyloxymethyl)-18-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,11,15-trimethyl-8-tri(propan-2-yl)silyloxyoctadeca-2,4,9,11,14-pentaenoate
CID 23629349
ethyl (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienoate
CID 24886407

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate?
The IUPAC name of methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate (CID 138969500) is methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate.
What is the SMILES notation for methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate?
The canonical SMILES for methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate is COC(=O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO.
What is the InChIKey of methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate?
The InChIKey is OWOIHFUTQMYRCK-ZESHAYOJSA-N. The full InChI is InChI=1S/C34H64O5Si2/c1-24(18-17-19-26(3)31(30(7)23-35)38-40(12,13)14)20-27(4)32(39-41(15,16)34(8,9)10)28(5)21-25(2)22-29(6)33(36)37-11/h17-19,21-22,26-28,30-32,35H,20,23H2,1-16H3/b19-17+,24-18+,25-21+,29-22+/t26-,27-,28+,30-,31-,32-/m0/s1.
What are the key properties of methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate?
methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate has a molecular weight of 609.05 g/mol, XLogP of 9.09, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate is sourced from PubChem (CID 138969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).