[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane

C16H24Si — CID 135070285

IUPAC[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESCC(=C/C#C[Si](C)(C)C)/C=C/C1=CCCCC1
InChIInChI=1S/C16H24Si/c1-15(9-8-14-17(2,3)4)12-13-16-10-6-5-7-11-16/h9-10,12-13H,5-7,11H2,1-4H3/b13-12+,15-9-
InChIKeyYLRKKLXCXRMRTD-ZRWMPAQASA-N
MW244.45 g/mol
LogP4.87
Rot. Bonds2

About [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane

[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 135070285) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID135070285
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Name[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESCC(=C/C#C[Si](C)(C)C)/C=C/C1=CCCCC1
InChIInChI=1S/C16H24Si/c1-15(9-8-14-17(2,3)4)12-13-16-10-6-5-7-11-16/h9-10,12-13H,5-7,11H2,1-4H3/b13-12+,15-9-
InChIKeyYLRKKLXCXRMRTD-ZRWMPAQASA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane (CID 135070285) is [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane is CC(=C/C#C[Si](C)(C)C)/C=C/C1=CCCCC1.
What is the InChIKey of [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is YLRKKLXCXRMRTD-ZRWMPAQASA-N. The full InChI is InChI=1S/C16H24Si/c1-15(9-8-14-17(2,3)4)12-13-16-10-6-5-7-11-16/h9-10,12-13H,5-7,11H2,1-4H3/b13-12+,15-9-.
What are the key properties of [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane?
[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135070285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).