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

C15H30Si — CID 173273198

IUPAC[3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane
SMILESCC/C=C/C1CCCCCC([Si](C)(C)C)C1
InChIInChI=1S/C15H30Si/c1-5-6-10-14-11-8-7-9-12-15(13-14)16(2,3)4/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+
InChIKeyOBTHJZFFJFLIAM-UXBLZVDNSA-N
MW238.49 g/mol
LogP5.63
Rot. Bonds3

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

[3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane (PubChem CID 173273198) has the molecular formula C15H30Si and a molecular weight of 238.49 g/mol. Its IUPAC name is [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane
PubChem CID173273198
Molecular FormulaC15H30Si
Molecular Weight238.49 g/mol
Exact Mass238.21
IUPAC Name[3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane
SMILESCC/C=C/C1CCCCCC([Si](C)(C)C)C1
InChIInChI=1S/C15H30Si/c1-5-6-10-14-11-8-7-9-12-15(13-14)16(2,3)4/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+
InChIKeyOBTHJZFFJFLIAM-UXBLZVDNSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.49
LogP ≤ 55.63
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'}

Analyze [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane?
The IUPAC name of [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane (CID 173273198) is [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane.
What is the SMILES notation for [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane?
The canonical SMILES for [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane is CC/C=C/C1CCCCCC([Si](C)(C)C)C1.
What is the InChIKey of [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane?
The InChIKey is OBTHJZFFJFLIAM-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H30Si/c1-5-6-10-14-11-8-7-9-12-15(13-14)16(2,3)4/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+.
What are the key properties of [3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane?
[3-[(E)-but-1-enyl]cyclooctyl]-trimethylsilane has a molecular weight of 238.49 g/mol, XLogP of 5.63, 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]cyclooctyl]-trimethylsilane is sourced from PubChem (CID 173273198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).