[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane

C20H40OSi — CID 135049584

IUPAC[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane
SMILESCCCCCCCCCC/C=C/CC/C=C(\OC)[Si](C)(C)C
InChIInChI=1S/C20H40OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+,20-19+
InChIKeyRAVHPVNHNZFZSO-LMOVRVBNSA-N
MW324.63 g/mol
LogP7.26
Rot. Bonds14

About [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane

[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane (PubChem CID 135049584) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane
PubChem CID135049584
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Name[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane
SMILESCCCCCCCCCC/C=C/CC/C=C(\OC)[Si](C)(C)C
InChIInChI=1S/C20H40OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+,20-19+
InChIKeyRAVHPVNHNZFZSO-LMOVRVBNSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane?
The IUPAC name of [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane (CID 135049584) is [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane is CCCCCCCCCC/C=C/CC/C=C(\OC)[Si](C)(C)C.
What is the InChIKey of [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane?
The InChIKey is RAVHPVNHNZFZSO-LMOVRVBNSA-N. The full InChI is InChI=1S/C20H40OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22(3,4)5/h15-16,19H,6-14,17-18H2,1-5H3/b16-15+,20-19+.
What are the key properties of [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane?
[(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane has a molecular weight of 324.63 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,5E)-1-methoxyhexadeca-1,5-dienyl]-trimethylsilane is sourced from PubChem (CID 135049584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).