[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane

C17H22Si — CID 101226612

IUPAC[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane
SMILESCC(C)(C)C#C/C=C/C#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C17H22Si/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h9-12H,1-6H3/b11-9+,12-10+
InChIKeySDVLZEZMESMHOA-WGDLNXRISA-N
MW254.45 g/mol
LogP4.03
Rot. Bonds

About [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane

[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane (PubChem CID 101226612) has the molecular formula C17H22Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane
PubChem CID101226612
Molecular FormulaC17H22Si
Molecular Weight254.45 g/mol
Exact Mass254.15
IUPAC Name[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane
SMILESCC(C)(C)C#C/C=C/C#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C17H22Si/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h9-12H,1-6H3/b11-9+,12-10+
InChIKeySDVLZEZMESMHOA-WGDLNXRISA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane?
The IUPAC name of [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane (CID 101226612) is [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane.
What is the SMILES notation for [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane?
The canonical SMILES for [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane is CC(C)(C)C#C/C=C/C#C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane?
The InChIKey is SDVLZEZMESMHOA-WGDLNXRISA-N. The full InChI is InChI=1S/C17H22Si/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h9-12H,1-6H3/b11-9+,12-10+.
What are the key properties of [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane?
[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane is sourced from PubChem (CID 101226612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).