[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane

C13H26OSi — CID 10998725

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2)8-7-9-13(3)10-11-14-15(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeyWJOVQJSWBJCMJE-JLHYYAGUSA-N
MW226.44 g/mol
LogP4.53
Rot. Bonds6

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane (PubChem CID 10998725) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane
PubChem CID10998725
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-12(2)8-7-9-13(3)10-11-14-15(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeyWJOVQJSWBJCMJE-JLHYYAGUSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.53
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane (CID 10998725) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane is CC(C)=CCC/C(C)=C/CO[Si](C)(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane?
The InChIKey is WJOVQJSWBJCMJE-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2)8-7-9-13(3)10-11-14-15(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienoxy]-trimethylsilane is sourced from PubChem (CID 10998725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).