(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one

C12H24OSi2 — CID 53362297

IUPAC(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one
SMILESCC(=O)/C=C/C(=C\[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi2/c1-11(13)8-9-12(15(5,6)7)10-14(2,3)4/h8-10H,1-7H3/b9-8+,12-10+
InChIKeyWGEPUIHNZQRFOG-CDKJVOIVSA-N
MW240.49 g/mol
LogP3.81
Rot. Bonds4

About (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one

(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one (PubChem CID 53362297) has the molecular formula C12H24OSi2 and a molecular weight of 240.49 g/mol. Its IUPAC name is (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one
PubChem CID53362297
Molecular FormulaC12H24OSi2
Molecular Weight240.49 g/mol
Exact Mass240.14
IUPAC Name(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one
SMILESCC(=O)/C=C/C(=C\[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi2/c1-11(13)8-9-12(15(5,6)7)10-14(2,3)4/h8-10H,1-7H3/b9-8+,12-10+
InChIKeyWGEPUIHNZQRFOG-CDKJVOIVSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-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 (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one?
The IUPAC name of (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one (CID 53362297) is (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one is CC(=O)/C=C/C(=C\[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one?
The InChIKey is WGEPUIHNZQRFOG-CDKJVOIVSA-N. The full InChI is InChI=1S/C12H24OSi2/c1-11(13)8-9-12(15(5,6)7)10-14(2,3)4/h8-10H,1-7H3/b9-8+,12-10+.
What are the key properties of (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one?
(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one has a molecular weight of 240.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one is sourced from PubChem (CID 53362297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).