3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane

C16H32O2Si — CID 139909181

IUPAC3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(=COC)CCCCCCCC
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-16(14-17-3)15(2)18-19(4,5)6/h14H,2,7-13H2,1,3-6H3
InChIKeyJTEQYGBZEUOMDK-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.63
Rot. Bonds11

About 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane

3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane (PubChem CID 139909181) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane
PubChem CID139909181
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(=COC)CCCCCCCC
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-16(14-17-3)15(2)18-19(4,5)6/h14H,2,7-13H2,1,3-6H3
InChIKeyJTEQYGBZEUOMDK-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane?
The IUPAC name of 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane (CID 139909181) is 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane.
What is the SMILES notation for 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane?
The canonical SMILES for 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane is C=C(O[Si](C)(C)C)C(=COC)CCCCCCCC.
What is the InChIKey of 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane?
The InChIKey is JTEQYGBZEUOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-16(14-17-3)15(2)18-19(4,5)6/h14H,2,7-13H2,1,3-6H3.
What are the key properties of 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane?
3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)undec-1-en-2-yloxy-trimethylsilane is sourced from PubChem (CID 139909181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).