[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane

C16H28Si — CID 135040642

IUPAC[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane
SMILESCC(C)=CCC[C@@H](C)C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-15(2)11-10-13-16(3)12-8-7-9-14-17(4,5)6/h7-8,11,16H,10,12-13H2,1-6H3/b8-7+/t16-/m0/s1
InChIKeyYAWZEVMPEHNEKJ-WAVCKPEOSA-N
MW248.49 g/mol
LogP5.20
Rot. Bonds5

About [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane

[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane (PubChem CID 135040642) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane
PubChem CID135040642
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane
SMILESCC(C)=CCC[C@@H](C)C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-15(2)11-10-13-16(3)12-8-7-9-14-17(4,5)6/h7-8,11,16H,10,12-13H2,1-6H3/b8-7+/t16-/m0/s1
InChIKeyYAWZEVMPEHNEKJ-WAVCKPEOSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane (CID 135040642) is [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane is CC(C)=CCC[C@@H](C)C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane?
The InChIKey is YAWZEVMPEHNEKJ-WAVCKPEOSA-N. The full InChI is InChI=1S/C16H28Si/c1-15(2)11-10-13-16(3)12-8-7-9-14-17(4,5)6/h7-8,11,16H,10,12-13H2,1-6H3/b8-7+/t16-/m0/s1.
What are the key properties of [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane?
[(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane has a molecular weight of 248.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,6R)-6,10-dimethylundeca-3,9-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135040642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).