(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one

C13H22OSi — CID 11658624

IUPAC(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one
SMILESC=CC/C=C(\C(=O)C(=C)CC)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-9-10-12(15(4,5)6)13(14)11(3)8-2/h7,10H,1,3,8-9H2,2,4-6H3/b12-10+
InChIKeyVYHBHDDRUFTTAO-ZRDIBKRKSA-N
MW222.40 g/mol
LogP3.90
Rot. Bonds6

About (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one

(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one (PubChem CID 11658624) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one.

Molecular Properties

Compound Name(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one
PubChem CID11658624
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one
SMILESC=CC/C=C(\C(=O)C(=C)CC)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-9-10-12(15(4,5)6)13(14)11(3)8-2/h7,10H,1,3,8-9H2,2,4-6H3/b12-10+
InChIKeyVYHBHDDRUFTTAO-ZRDIBKRKSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.90
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 (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-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 (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one?
The IUPAC name of (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one (CID 11658624) is (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one.
What is the SMILES notation for (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one?
The canonical SMILES for (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one is C=CC/C=C(\C(=O)C(=C)CC)[Si](C)(C)C.
What is the InChIKey of (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one?
The InChIKey is VYHBHDDRUFTTAO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H22OSi/c1-7-9-10-12(15(4,5)6)13(14)11(3)8-2/h7,10H,1,3,8-9H2,2,4-6H3/b12-10+.
What are the key properties of (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one?
(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one has a molecular weight of 222.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one is sourced from PubChem (CID 11658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).