6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one

C11H20O2Si — CID 175284887

IUPAC6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1(C)CCC(O[Si](C)(C)C)=CC1=O
InChIInChI=1S/C11H20O2Si/c1-11(2)7-6-9(8-10(11)12)13-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNEDWPSLDFYGCFY-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.11
Rot. Bonds2

About 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one

6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 175284887) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID175284887
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1(C)CCC(O[Si](C)(C)C)=CC1=O
InChIInChI=1S/C11H20O2Si/c1-11(2)7-6-9(8-10(11)12)13-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNEDWPSLDFYGCFY-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one 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

Sodium 5,5-dimethyl-3-oxocyclohexen-1-olate
CID 23668389
3-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 11615972
1-{4-[(Trimethylsilyl)oxy]cyclohex-3-en-1-yl}ethan-1-one
CID 13939912
5,5-Dimethyl-3-oxocyclohexen-1-olate
CID 27871193
1-[1-(Fluoromethyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
CID 149559132
3-[(Trimethylsilyl)oxy]cyclohex-2-en-1-one
CID 12540647
5,5-Dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
CID 12822761
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
3-[Ditert-butyl-(5,5-dimethyl-3-oxocyclohexen-1-yl)oxysilyl]oxy-5,5-dimethylcyclohex-2-en-1-one
CID 101453807
1-Cyclohexene, 5-acetyl-1-t-butyldimethylsilyloxy-
CID 581348
CID 12847286
CID 12847286
CID 68451986
CID 68451986

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one (CID 175284887) is 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one is CC1(C)CCC(O[Si](C)(C)C)=CC1=O.
What is the InChIKey of 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is NEDWPSLDFYGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2)7-6-9(8-10(11)12)13-14(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 212.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 175284887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).