[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane

C37H72O4Si3 — CID 11763772

IUPAC[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H72O4Si3/c1-29(27-39-42(13,14)35(4,5)6)26-30(2)34(41-44(17,18)37(10,11)12)31(3)33(40-43(15,16)36(7,8)9)24-25-38-28-32-22-20-19-21-23-32/h19-23,26,30-31,33-34H,24-25,27-28H2,1-18H3/b29-26+/t30-,31+,33-,34-/m1/s1
InChIKeyMDWXBUNGCOYAHK-ZUVVLFOUSA-N
MW665.24 g/mol
LogP11.61
Rot. Bonds16

About [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane

[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11763772) has the molecular formula C37H72O4Si3 and a molecular weight of 665.24 g/mol. Its IUPAC name is [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID11763772
Molecular FormulaC37H72O4Si3
Molecular Weight665.24 g/mol
Exact Mass664.47
IUPAC Name[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H72O4Si3/c1-29(27-39-42(13,14)35(4,5)6)26-30(2)34(41-44(17,18)37(10,11)12)31(3)33(40-43(15,16)36(7,8)9)24-25-38-28-32-22-20-19-21-23-32/h19-23,26,30-31,33-34H,24-25,27-28H2,1-18H3/b29-26+/t30-,31+,33-,34-/m1/s1
InChIKeyMDWXBUNGCOYAHK-ZUVVLFOUSA-N
XLogP11.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.24
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,1,1-trifluoro-6-phenylmethoxyhexan-2-ol
CID 139682002
(2S,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,1,1-trifluoro-6-phenylmethoxyhexan-2-ol
CID 139682000
(E,5R,6S,7R,8R)-3,5,7,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6,8,10-trimethylundec-9-en-2-one
CID 11354610
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(E,4S,5R,6R,9R,10S,11R)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7,9,11-tetramethyl-12-phenylmethoxydodec-7-en-6-ol
CID 102465386
(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987

Frequently Asked Questions

What is the IUPAC name of [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane (CID 11763772) is [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane is C/C(=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is MDWXBUNGCOYAHK-ZUVVLFOUSA-N. The full InChI is InChI=1S/C37H72O4Si3/c1-29(27-39-42(13,14)35(4,5)6)26-30(2)34(41-44(17,18)37(10,11)12)31(3)33(40-43(15,16)36(7,8)9)24-25-38-28-32-22-20-19-21-23-32/h19-23,26,30-31,33-34H,24-25,27-28H2,1-18H3/b29-26+/t30-,31+,33-,34-/m1/s1.
What are the key properties of [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane?
[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 665.24 g/mol, XLogP of 11.61, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11763772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).