[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane

C14H28Si — CID 173273194

IUPAC[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane
SMILESCC/C=C/C1CCCCC([Si](C)(C)C)C1
InChIInChI=1S/C14H28Si/c1-5-6-9-13-10-7-8-11-14(12-13)15(2,3)4/h6,9,13-14H,5,7-8,10-12H2,1-4H3/b9-6+
InChIKeyFMZAGBLGJHZUSB-RMKNXTFCSA-N
MW224.46 g/mol
LogP5.24
Rot. Bonds3

About [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane

[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane (PubChem CID 173273194) has the molecular formula C14H28Si and a molecular weight of 224.46 g/mol. Its IUPAC name is [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane
PubChem CID173273194
Molecular FormulaC14H28Si
Molecular Weight224.46 g/mol
Exact Mass224.20
IUPAC Name[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane
SMILESCC/C=C/C1CCCCC([Si](C)(C)C)C1
InChIInChI=1S/C14H28Si/c1-5-6-9-13-10-7-8-11-14(12-13)15(2,3)4/h6,9,13-14H,5,7-8,10-12H2,1-4H3/b9-6+
InChIKeyFMZAGBLGJHZUSB-RMKNXTFCSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane?
The IUPAC name of [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane (CID 173273194) is [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane.
What is the SMILES notation for [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane?
The canonical SMILES for [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane is CC/C=C/C1CCCCC([Si](C)(C)C)C1.
What is the InChIKey of [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane?
The InChIKey is FMZAGBLGJHZUSB-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H28Si/c1-5-6-9-13-10-7-8-11-14(12-13)15(2,3)4/h6,9,13-14H,5,7-8,10-12H2,1-4H3/b9-6+.
What are the key properties of [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane?
[3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane has a molecular weight of 224.46 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-but-1-enyl]cycloheptyl]-trimethylsilane is sourced from PubChem (CID 173273194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).