[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane

C24H48O2Si2 — CID 10895168

IUPAC[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane
SMILESC#C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C24H48O2Si2/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9/h1,17,19-23H,16H2,2-14H3/b18-17+/t19-,20+,21-,22+,23+/m0/s1
InChIKeyRFSIZKGDPNQWQD-IOYGALHKSA-N
MW424.82 g/mol
LogP7.49
Rot. Bonds10

About [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane

[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane (PubChem CID 10895168) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane
PubChem CID10895168
Molecular FormulaC24H48O2Si2
Molecular Weight424.82 g/mol
Exact Mass424.32
IUPAC Name[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane
SMILESC#C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C24H48O2Si2/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9/h1,17,19-23H,16H2,2-14H3/b18-17+/t19-,20+,21-,22+,23+/m0/s1
InChIKeyRFSIZKGDPNQWQD-IOYGALHKSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 57.49
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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Frequently Asked Questions

What is the IUPAC name of [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane (CID 10895168) is [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane is C#C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC.
What is the InChIKey of [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane?
The InChIKey is RFSIZKGDPNQWQD-IOYGALHKSA-N. The full InChI is InChI=1S/C24H48O2Si2/c1-15-18(3)17-20(5)23(25-27(10,11)12)21(6)22(19(4)16-2)26-28(13,14)24(7,8)9/h1,17,19-23H,16H2,2-14H3/b18-17+/t19-,20+,21-,22+,23+/m0/s1.
What are the key properties of [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane?
[(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane has a molecular weight of 424.82 g/mol, XLogP of 7.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R,2S,3R,4R)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-3-trimethylsilyloxyoct-5-en-7-ynoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10895168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).