tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane

C21H38OSi — CID 101181765

IUPACtert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
SMILESC#CC(C)(CC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-11-21(8,22-23(9,10)20(5,6)7)17-13-16-19(4)15-12-14-18(2)3/h1,14,16H,12-13,15,17H2,2-10H3/b19-16+
InChIKeyZEJWCECJSCSDIK-KNTRCKAVSA-N
MW334.62 g/mol
LogP6.87
Rot. Bonds8

About tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane (PubChem CID 101181765) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
PubChem CID101181765
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
SMILESC#CC(C)(CC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-11-21(8,22-23(9,10)20(5,6)7)17-13-16-19(4)15-12-14-18(2)3/h1,14,16H,12-13,15,17H2,2-10H3/b19-16+
InChIKeyZEJWCECJSCSDIK-KNTRCKAVSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
CID 135074989
[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102233872
3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 54333928
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane (CID 101181765) is tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane is C#CC(C)(CC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane?
The InChIKey is ZEJWCECJSCSDIK-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H38OSi/c1-11-21(8,22-23(9,10)20(5,6)7)17-13-16-19(4)15-12-14-18(2)3/h1,14,16H,12-13,15,17H2,2-10H3/b19-16+.
What are the key properties of tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane has a molecular weight of 334.62 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane is sourced from PubChem (CID 101181765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).