[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane

C26H54O2Si3 — CID 11123708

IUPAC[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane
SMILESC/C(C#C[Si](C)(C)C)=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O2Si3/c1-21(17-18-29(10,11)12)19-22(2)24(28-31(15,16)26(7,8)9)23(3)20-27-30(13,14)25(4,5)6/h19,22-24H,20H2,1-16H3/b21-19+/t22-,23+,24-/m1/s1
InChIKeyZPTYKYNXKBJHNE-JJNSXUJOSA-N
MW482.97 g/mol
LogP8.50
Rot. Bonds8

About [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane

[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane (PubChem CID 11123708) has the molecular formula C26H54O2Si3 and a molecular weight of 482.97 g/mol. Its IUPAC name is [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane
PubChem CID11123708
Molecular FormulaC26H54O2Si3
Molecular Weight482.97 g/mol
Exact Mass482.34
IUPAC Name[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane
SMILESC/C(C#C[Si](C)(C)C)=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O2Si3/c1-21(17-18-29(10,11)12)19-22(2)24(28-31(15,16)26(7,8)9)23(3)20-27-30(13,14)25(4,5)6/h19,22-24H,20H2,1-16H3/b21-19+/t22-,23+,24-/m1/s1
InChIKeyZPTYKYNXKBJHNE-JJNSXUJOSA-N
XLogP8.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(E,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 24756021
tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane
CID 15605929
tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
CID 56590590
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]oxysilane
CID 101546873
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
tert-butyl-[(2S,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
CID 134950605
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
CID 15672916
tert-butyl-[(3R,4R)-2-but-1-ynyl-3-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-4-triethylsilyloxycyclopenten-1-yl]oxy-dimethylsilane
CID 18598961
tert-butyl-[2-but-1-ynyl-3-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-4-triethylsilyloxycyclopenten-1-yl]oxy-dimethylsilane
CID 20270664
(RS)-3-(3-trimethylsilyl-2-propynyl)-3-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57131418

Frequently Asked Questions

What is the IUPAC name of [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane (CID 11123708) is [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane is C/C(C#C[Si](C)(C)C)=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane?
The InChIKey is ZPTYKYNXKBJHNE-JJNSXUJOSA-N. The full InChI is InChI=1S/C26H54O2Si3/c1-21(17-18-29(10,11)12)19-22(2)24(28-31(15,16)26(7,8)9)23(3)20-27-30(13,14)25(4,5)6/h19,22-24H,20H2,1-16H3/b21-19+/t22-,23+,24-/m1/s1.
What are the key properties of [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane?
[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane has a molecular weight of 482.97 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11123708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).