[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane

C18H32OSi — CID 102150886

IUPAC[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C/C=C/C(/C=C/C=C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-10-13-17(14-11-9-2)15-12-16-19-20(6,7)18(3,4)5/h8-11,13-14,17H,1-2,12,15-16H2,3-7H3/b13-10+,14-11+
InChIKeyAKBBGSGHLYPFLU-IFQMDVHZSA-N
MW292.54 g/mol
LogP5.89
Rot. Bonds9

About [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane

[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 102150886) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
PubChem CID102150886
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C/C=C/C(/C=C/C=C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-10-13-17(14-11-9-2)15-12-16-19-20(6,7)18(3,4)5/h8-11,13-14,17H,1-2,12,15-16H2,3-7H3/b13-10+,14-11+
InChIKeyAKBBGSGHLYPFLU-IFQMDVHZSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
Silane, dimethyl(non-3-enyloxy)isohexyloxy-
CID 91698241
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323
tert-butyl-[(3R,4S,5E)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148324
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178

Frequently Asked Questions

What is the IUPAC name of [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane (CID 102150886) is [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane is C=C/C=C/C(/C=C/C=C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is AKBBGSGHLYPFLU-IFQMDVHZSA-N. The full InChI is InChI=1S/C18H32OSi/c1-8-10-13-17(14-11-9-2)15-12-16-19-20(6,7)18(3,4)5/h8-11,13-14,17H,1-2,12,15-16H2,3-7H3/b13-10+,14-11+.
What are the key properties of [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane?
[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102150886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).