(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one

C11H20OSi — CID 101431474

IUPAC(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one
SMILESC=CC[Si](C)(C)C/C=C/C(=O)CC
InChIInChI=1S/C11H20OSi/c1-5-9-13(3,4)10-7-8-11(12)6-2/h5,7-8H,1,6,9-10H2,2-4H3/b8-7+
InChIKeyJREJCGJGRFFEMB-BQYQJAHWSA-N
MW196.37 g/mol
LogP3.42
Rot. Bonds6

About (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one

(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one (PubChem CID 101431474) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one
PubChem CID101431474
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one
SMILESC=CC[Si](C)(C)C/C=C/C(=O)CC
InChIInChI=1S/C11H20OSi/c1-5-9-13(3,4)10-7-8-11(12)6-2/h5,7-8H,1,6,9-10H2,2-4H3/b8-7+
InChIKeyJREJCGJGRFFEMB-BQYQJAHWSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one 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-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one?
The IUPAC name of (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one (CID 101431474) is (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one.
What is the SMILES notation for (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one?
The canonical SMILES for (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one is C=CC[Si](C)(C)C/C=C/C(=O)CC.
What is the InChIKey of (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one?
The InChIKey is JREJCGJGRFFEMB-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-9-13(3,4)10-7-8-11(12)6-2/h5,7-8H,1,6,9-10H2,2-4H3/b8-7+.
What are the key properties of (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one?
(E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one has a molecular weight of 196.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[dimethyl(prop-2-enyl)silyl]hex-4-en-3-one is sourced from PubChem (CID 101431474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).