trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane

C16H26Si — CID 11390951

IUPACtrimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane
SMILESCC1=C(/C=C/C#C[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C16H26Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h7,11H,9-10,12H2,1-6H3/b11-7+
InChIKeyNQVKYCIOYMAALV-YRNVUSSQSA-N
MW246.47 g/mol
LogP4.95
Rot. Bonds1

About trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane

trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane (PubChem CID 11390951) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane
PubChem CID11390951
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Nametrimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane
SMILESCC1=C(/C=C/C#C[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C16H26Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h7,11H,9-10,12H2,1-6H3/b11-7+
InChIKeyNQVKYCIOYMAALV-YRNVUSSQSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.95
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 trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane (CID 11390951) is trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane is CC1=C(/C=C/C#C[Si](C)(C)C)C(C)(C)CCC1.
What is the InChIKey of trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane?
The InChIKey is NQVKYCIOYMAALV-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H26Si/c1-14-10-9-12-16(2,3)15(14)11-7-8-13-17(4,5)6/h7,11H,9-10,12H2,1-6H3/b11-7+.
What are the key properties of trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane?
trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane has a molecular weight of 246.47 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]silane is sourced from PubChem (CID 11390951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).