[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane

C20H26Si — CID 11066336

IUPAC[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C\C1=C(C#CC2=CCCCC2)CCC1
InChIInChI=1S/C20H26Si/c1-21(2,3)17-8-7-12-19-13-9-14-20(19)16-15-18-10-5-4-6-11-18/h7,10,12H,4-6,9,11,13-14H2,1-3H3/b12-7-
InChIKeyVZIYSFTYKBDAJV-GHXNOFRVSA-N
MW294.51 g/mol
LogP5.41
Rot. Bonds1

About [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane

[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane (PubChem CID 11066336) has the molecular formula C20H26Si and a molecular weight of 294.51 g/mol. Its IUPAC name is [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane
PubChem CID11066336
Molecular FormulaC20H26Si
Molecular Weight294.51 g/mol
Exact Mass294.18
IUPAC Name[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C\C1=C(C#CC2=CCCCC2)CCC1
InChIInChI=1S/C20H26Si/c1-21(2,3)17-8-7-12-19-13-9-14-20(19)16-15-18-10-5-4-6-11-18/h7,10,12H,4-6,9,11,13-14H2,1-3H3/b12-7-
InChIKeyVZIYSFTYKBDAJV-GHXNOFRVSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.41
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 [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane (CID 11066336) is [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C=C\C1=C(C#CC2=CCCCC2)CCC1.
What is the InChIKey of [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane?
The InChIKey is VZIYSFTYKBDAJV-GHXNOFRVSA-N. The full InChI is InChI=1S/C20H26Si/c1-21(2,3)17-8-7-12-19-13-9-14-20(19)16-15-18-10-5-4-6-11-18/h7,10,12H,4-6,9,11,13-14H2,1-3H3/b12-7-.
What are the key properties of [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane?
[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane has a molecular weight of 294.51 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11066336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).