tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane

C20H36OSi2 — CID 11163885

IUPACtert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
SMILESC=CC(/C=C/C#C[Si](C)(C)C)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi2/c1-11-19(14-12-13-15-22(6,7)8)16-18(2)17-21-23(9,10)20(3,4)5/h11-12,14,16,18H,1,17H2,2-10H3/b14-12+,19-16+/t18-/m1/s1
InChIKeyLAGXRQOVXIZZIO-NLKRLBMYSA-N
MW348.68 g/mol
LogP6.19
Rot. Bonds6

About tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane

tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane (PubChem CID 11163885) has the molecular formula C20H36OSi2 and a molecular weight of 348.68 g/mol. Its IUPAC name is tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
PubChem CID11163885
Molecular FormulaC20H36OSi2
Molecular Weight348.68 g/mol
Exact Mass348.23
IUPAC Nametert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
SMILESC=CC(/C=C/C#C[Si](C)(C)C)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi2/c1-11-19(14-12-13-15-22(6,7)8)16-18(2)17-21-23(9,10)20(3,4)5/h11-12,14,16,18H,1,17H2,2-10H3/b14-12+,19-16+/t18-/m1/s1
InChIKeyLAGXRQOVXIZZIO-NLKRLBMYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.68
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
CID 10882108
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
CID 11220389
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
CID 11345720
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
CID 11475115
tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
CID 11653482
tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 12073746
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-[(2R,3Z,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101267045
tert-butyl-[(2S,3Z)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
CID 101396175

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane (CID 11163885) is tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane is C=CC(/C=C/C#C[Si](C)(C)C)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?
The InChIKey is LAGXRQOVXIZZIO-NLKRLBMYSA-N. The full InChI is InChI=1S/C20H36OSi2/c1-11-19(14-12-13-15-22(6,7)8)16-18(2)17-21-23(9,10)20(3,4)5/h11-12,14,16,18H,1,17H2,2-10H3/b14-12+,19-16+/t18-/m1/s1.
What are the key properties of tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane has a molecular weight of 348.68 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 11163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).