[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane

C9H11ClSi — CID 102149262

IUPAC[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC#C/C=C/Cl
InChIInChI=1S/C9H11ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6,8H,1-3H3/b8-6+
InChIKeyNFUZSNHDTIOYLE-SOFGYWHQSA-N
MW182.73 g/mol
LogP2.62
Rot. Bonds

About [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane

[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane (PubChem CID 102149262) has the molecular formula C9H11ClSi and a molecular weight of 182.73 g/mol. Its IUPAC name is [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane
PubChem CID102149262
Molecular FormulaC9H11ClSi
Molecular Weight182.73 g/mol
Exact Mass182.03
IUPAC Name[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC#C/C=C/Cl
InChIInChI=1S/C9H11ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6,8H,1-3H3/b8-6+
InChIKeyNFUZSNHDTIOYLE-SOFGYWHQSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.73
LogP ≤ 52.62
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'}

Analyze [(E)-6-chlorohex-5-en-1,3-diynyl]-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 [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane?
The IUPAC name of [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane (CID 102149262) is [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane.
What is the SMILES notation for [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane?
The canonical SMILES for [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane is C[Si](C)(C)C#CC#C/C=C/Cl.
What is the InChIKey of [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane?
The InChIKey is NFUZSNHDTIOYLE-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H11ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6,8H,1-3H3/b8-6+.
What are the key properties of [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane?
[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane has a molecular weight of 182.73 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane is sourced from PubChem (CID 102149262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).