trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane

C16H28Si — CID 134993891

IUPACtrimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane
SMILESCCCCCC/C=C(C)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-6-7-8-9-10-13-16(2)14-11-12-15-17(3,4)5/h11,13-14H,6-10H2,1-5H3/b14-11+,16-13+
InChIKeyYBHVHPINPLGMHS-MWGZXAIVSA-N
MW248.49 g/mol
LogP5.34
Rot. Bonds6

About trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane

trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane (PubChem CID 134993891) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane
PubChem CID134993891
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Nametrimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane
SMILESCCCCCC/C=C(C)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28Si/c1-6-7-8-9-10-13-16(2)14-11-12-15-17(3,4)5/h11,13-14H,6-10H2,1-5H3/b14-11+,16-13+
InChIKeyYBHVHPINPLGMHS-MWGZXAIVSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane?
The IUPAC name of trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane (CID 134993891) is trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane is CCCCCC/C=C(C)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane?
The InChIKey is YBHVHPINPLGMHS-MWGZXAIVSA-N. The full InChI is InChI=1S/C16H28Si/c1-6-7-8-9-10-13-16(2)14-11-12-15-17(3,4)5/h11,13-14H,6-10H2,1-5H3/b14-11+,16-13+.
What are the key properties of trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane?
trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane has a molecular weight of 248.49 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane is sourced from PubChem (CID 134993891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).