tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane

C18H32OSi — CID 139250259

IUPACtert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane
SMILESC=C/C=C/CCC(C/C=C/C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-10-12-14-16-17(15-13-11-9-2)19-20(6,7)18(3,4)5/h8-13,17H,1-2,14-16H2,3-7H3/b12-10+,13-11+
InChIKeyWGXWURMHLZRLME-DCIPZJNNSA-N
MW292.54 g/mol
LogP6.03
Rot. Bonds9

About tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane

tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane (PubChem CID 139250259) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane
PubChem CID139250259
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane
SMILESC=C/C=C/CCC(C/C=C/C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-10-12-14-16-17(15-13-11-9-2)19-20(6,7)18(3,4)5/h8-13,17H,1-2,14-16H2,3-7H3/b12-10+,13-11+
InChIKeyWGXWURMHLZRLME-DCIPZJNNSA-N
XLogP6.03
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 ≤ 56.03
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'}

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Related Compounds

tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
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CID 123175134
2-Trihexylsilyloxyoct-3-ene
CID 5353195
cis-3-Nonen-1-ol, tert-butyldimethylsilyl ether
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(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane
CID 10973130
Tert-butyl-cyclohepta-3,5-dien-1-yloxy-dimethylsilane
CID 11031513
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-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane (CID 139250259) is tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane is C=C/C=C/CCC(C/C=C/C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane?
The InChIKey is WGXWURMHLZRLME-DCIPZJNNSA-N. The full InChI is InChI=1S/C18H32OSi/c1-8-10-12-14-16-17(15-13-11-9-2)19-20(6,7)18(3,4)5/h8-13,17H,1-2,14-16H2,3-7H3/b12-10+,13-11+.
What are the key properties of tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane?
tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,9E)-dodeca-1,3,9,11-tetraen-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 139250259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).