tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane

C22H36OSi — CID 138982915

IUPACtert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane
SMILESC=CC/C=C\CC(C#C/C=C/C(CC)O[Si](C)(C)C(C)(C)C)C=C
InChIInChI=1S/C22H36OSi/c1-9-12-13-14-17-20(10-2)18-15-16-19-21(11-3)23-24(7,8)22(4,5)6/h9-10,13-14,16,19-21H,1-2,11-12,17H2,3-8H3/b14-13-,19-16+
InChIKeyMGUVZEANNFJRSF-UDJHJBJUSA-N
MW344.62 g/mol
LogP6.67
Rot. Bonds9

About tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane (PubChem CID 138982915) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane
PubChem CID138982915
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Nametert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane
SMILESC=CC/C=C\CC(C#C/C=C/C(CC)O[Si](C)(C)C(C)(C)C)C=C
InChIInChI=1S/C22H36OSi/c1-9-12-13-14-17-20(10-2)18-15-16-19-21(11-3)23-24(7,8)22(4,5)6/h9-10,13-14,16,19-21H,1-2,11-12,17H2,3-8H3/b14-13-,19-16+
InChIKeyMGUVZEANNFJRSF-UDJHJBJUSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.67
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

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2-Triisobutylsilyloxyoct-3-ene
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2-Tripropylsilyloxyoct-3-ene
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2-Tributylsilyloxyoct-3-ene
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CID 11653482
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
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[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 11771207
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
tert-butyl-[(E)-5,5-dimethyloct-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 44195394
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane (CID 138982915) is tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane is C=CC/C=C\CC(C#C/C=C/C(CC)O[Si](C)(C)C(C)(C)C)C=C.
What is the InChIKey of tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane?
The InChIKey is MGUVZEANNFJRSF-UDJHJBJUSA-N. The full InChI is InChI=1S/C22H36OSi/c1-9-12-13-14-17-20(10-2)18-15-16-19-21(11-3)23-24(7,8)22(4,5)6/h9-10,13-14,16,19-21H,1-2,11-12,17H2,3-8H3/b14-13-,19-16+.
What are the key properties of tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 138982915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).