(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione

C13H20O2Si — CID 5376309

IUPAC(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione
SMILESCC1=CC(=O)C(C)(C)C(=O)/C1=C/[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-9-7-11(14)13(2,3)12(15)10(9)8-16(4,5)6/h7-8H,1-6H3/b10-8+
InChIKeyMYHVOCVYCVGSRE-CSKARUKUSA-N
MW236.39 g/mol
LogP2.91
Rot. Bonds1

About (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione

(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione (PubChem CID 5376309) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione
PubChem CID5376309
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione
SMILESCC1=CC(=O)C(C)(C)C(=O)/C1=C/[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-9-7-11(14)13(2,3)12(15)10(9)8-16(4,5)6/h7-8H,1-6H3/b10-8+
InChIKeyMYHVOCVYCVGSRE-CSKARUKUSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one
CID 14759603
4-Ethylidene-3,5,5-trimethylcyclohex-2-en-1-one
CID 72739000
3,5-Bis(2-methylbutan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 20073423
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenylidene)
CID 527058
4-(3-Oxobut-1-enylidene)-3,5,5-trimethylcyclohex-2-en-1-one
CID 6428786
(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one
CID 643928
5,5-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclohex-2-en-1-one
CID 15890167
(5R,6R)-6-acetyl-6-[(3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dienyl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 11418629
3-(1-Trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
CID 14295007
(4S,5R)-3-ethenyl-4,5-dimethyl-4-[(Z)-4-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one
CID 101605572
(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
CID 134925456
(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one
CID 135037844

Frequently Asked Questions

What is the IUPAC name of (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione?
The IUPAC name of (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione (CID 5376309) is (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione?
The canonical SMILES for (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione is CC1=CC(=O)C(C)(C)C(=O)/C1=C/[Si](C)(C)C.
What is the InChIKey of (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione?
The InChIKey is MYHVOCVYCVGSRE-CSKARUKUSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-9-7-11(14)13(2,3)12(15)10(9)8-16(4,5)6/h7-8H,1-6H3/b10-8+.
What are the key properties of (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione?
(6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione has a molecular weight of 236.39 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,2,5-trimethyl-6-(trimethylsilylmethylidene)cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 5376309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).