5-trimethylsilylcyclohexane-1,3-dione

C9H16O2Si — CID 71393140

IUPAC5-trimethylsilylcyclohexane-1,3-dione
SMILESC[Si](C)(C)C1CC(=O)CC(=O)C1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)9-5-7(10)4-8(11)6-9/h9H,4-6H2,1-3H3
InChIKeyRMAUFDUERWHEQO-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.02
Rot. Bonds1

About 5-trimethylsilylcyclohexane-1,3-dione

5-trimethylsilylcyclohexane-1,3-dione (PubChem CID 71393140) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-trimethylsilylcyclohexane-1,3-dione.

Molecular Properties

Compound Name5-trimethylsilylcyclohexane-1,3-dione
PubChem CID71393140
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name5-trimethylsilylcyclohexane-1,3-dione
SMILESC[Si](C)(C)C1CC(=O)CC(=O)C1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)9-5-7(10)4-8(11)6-9/h9H,4-6H2,1-3H3
InChIKeyRMAUFDUERWHEQO-UHFFFAOYSA-N
XLogP2.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.02
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'}

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Related Compounds

(3S)-3-trimethylsilylcyclopentan-1-one
CID 14001619
(6R)-6-methyloxane-2,4-dione
CID 11804775
2-methyl-1,3-oxazine-4,6-dione
CID 58133366
5-(dimethoxymethyl)cyclohexane-1,3-dione
CID 19347799
(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
CID 15277926
(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
CID 10856412
5-(3-propan-2-ylimidazol-4-yl)cyclohexane-1,3-dione
CID 81341194
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one
CID 101114957
(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
CID 11298189
5-propanoylcyclohexane-1,3-dione
CID 159256323
(2R)-4,6-dioxooxane-2-carboxylic acid
CID 124707644

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylcyclohexane-1,3-dione?
The IUPAC name of 5-trimethylsilylcyclohexane-1,3-dione (CID 71393140) is 5-trimethylsilylcyclohexane-1,3-dione.
What is the SMILES notation for 5-trimethylsilylcyclohexane-1,3-dione?
The canonical SMILES for 5-trimethylsilylcyclohexane-1,3-dione is C[Si](C)(C)C1CC(=O)CC(=O)C1.
What is the InChIKey of 5-trimethylsilylcyclohexane-1,3-dione?
The InChIKey is RMAUFDUERWHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)9-5-7(10)4-8(11)6-9/h9H,4-6H2,1-3H3.
What are the key properties of 5-trimethylsilylcyclohexane-1,3-dione?
5-trimethylsilylcyclohexane-1,3-dione has a molecular weight of 184.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylcyclohexane-1,3-dione is sourced from PubChem (CID 71393140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).