[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane

C14H26O2Si — CID 134890126

IUPAC[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
SMILESCOC(C#CC(C)(C)C)/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-12(16-17(6,7)8)11-13(15-5)9-10-14(2,3)4/h11,13H,1-8H3/b12-11+
InChIKeyPOTAKOQVAJTWLX-VAWYXSNFSA-N
MW254.45 g/mol
LogP3.81
Rot. Bonds4

About [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane

[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane (PubChem CID 134890126) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
PubChem CID134890126
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
SMILESCOC(C#CC(C)(C)C)/C=C(\C)O[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-12(16-17(6,7)8)11-13(15-5)9-10-14(2,3)4/h11,13H,1-8H3/b12-11+
InChIKeyPOTAKOQVAJTWLX-VAWYXSNFSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-methoxy-6-trimethylsilylhex-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890060
[(E)-4-methoxynon-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 135046086
[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane
CID 10760182
[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane
CID 11333265
[(E)-5-methoxy-2,2-dimethylhex-3-en-3-yl]oxy-trimethylsilane
CID 15247899
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
CID 24773156
tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane
CID 122400495
[(Z)-5-methoxy-2,2-dimethylhex-3-en-3-yl]oxy-trimethylsilane
CID 131875010

Frequently Asked Questions

What is the IUPAC name of [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane (CID 134890126) is [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane is COC(C#CC(C)(C)C)/C=C(\C)O[Si](C)(C)C.
What is the InChIKey of [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane?
The InChIKey is POTAKOQVAJTWLX-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-12(16-17(6,7)8)11-13(15-5)9-10-14(2,3)4/h11,13H,1-8H3/b12-11+.
What are the key properties of [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane?
[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 134890126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).