tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane

C24H48O3Si2 — CID 71489546

IUPACtert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC[C@H](/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)COC1CCCCO1
InChIInChI=1S/C24H48O3Si2/c1-20(19-26-23-13-11-12-17-25-23)14-15-21(2)22(16-18-28(6,7)8)27-29(9,10)24(3,4)5/h14-16,18,20-23H,11-13,17,19H2,1-10H3/b15-14+,18-16+/t20-,21-,22-,23?/m1/s1
InChIKeyJYGLVYIRJDRVRL-SSAQFKKCSA-N
MW440.82 g/mol
LogP7.18
Rot. Bonds10

About tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane (PubChem CID 71489546) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane
PubChem CID71489546
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Nametert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC[C@H](/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)COC1CCCCO1
InChIInChI=1S/C24H48O3Si2/c1-20(19-26-23-13-11-12-17-25-23)14-15-21(2)22(16-18-28(6,7)8)27-29(9,10)24(3,4)5/h14-16,18,20-23H,11-13,17,19H2,1-10H3/b15-14+,18-16+/t20-,21-,22-,23?/m1/s1
InChIKeyJYGLVYIRJDRVRL-SSAQFKKCSA-N
XLogP7.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane (CID 71489546) is tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane is C[C@H](/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)COC1CCCCO1.
What is the InChIKey of tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane?
The InChIKey is JYGLVYIRJDRVRL-SSAQFKKCSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-20(19-26-23-13-11-12-17-25-23)14-15-21(2)22(16-18-28(6,7)8)27-29(9,10)24(3,4)5/h14-16,18,20-23H,11-13,17,19H2,1-10H3/b15-14+,18-16+/t20-,21-,22-,23?/m1/s1.
What are the key properties of tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane has a molecular weight of 440.82 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3S,4R,5E,7R)-4,7-dimethyl-8-(oxan-2-yloxy)-1-trimethylsilylocta-1,5-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 71489546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).