2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one

C16H20Cl4O3Si — CID 10646270

IUPAC2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one
SMILESCC1CCCC(Oc2c(Cl)c(Cl)c(O[Si](C)(C)C)c(Cl)c2Cl)C1=O
InChIInChI=1S/C16H20Cl4O3Si/c1-8-6-5-7-9(14(8)21)22-15-10(17)12(19)16(13(20)11(15)18)23-24(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyAZJIQSCEUJOZOO-UHFFFAOYSA-N
MW430.23 g/mol
LogP6.65
Rot. Bonds4

About 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one

2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one (PubChem CID 10646270) has the molecular formula C16H20Cl4O3Si and a molecular weight of 430.23 g/mol. Its IUPAC name is 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one
PubChem CID10646270
Molecular FormulaC16H20Cl4O3Si
Molecular Weight430.23 g/mol
Exact Mass427.99
IUPAC Name2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one
SMILESCC1CCCC(Oc2c(Cl)c(Cl)c(O[Si](C)(C)C)c(Cl)c2Cl)C1=O
InChIInChI=1S/C16H20Cl4O3Si/c1-8-6-5-7-9(14(8)21)22-15-10(17)12(19)16(13(20)11(15)18)23-24(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyAZJIQSCEUJOZOO-UHFFFAOYSA-N
XLogP6.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.23
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one?
The IUPAC name of 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one (CID 10646270) is 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one.
What is the SMILES notation for 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one?
The canonical SMILES for 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one is CC1CCCC(Oc2c(Cl)c(Cl)c(O[Si](C)(C)C)c(Cl)c2Cl)C1=O.
What is the InChIKey of 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one?
The InChIKey is AZJIQSCEUJOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl4O3Si/c1-8-6-5-7-9(14(8)21)22-15-10(17)12(19)16(13(20)11(15)18)23-24(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one?
2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one has a molecular weight of 430.23 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,3,5,6-tetrachloro-4-trimethylsilyloxyphenoxy)cyclohexan-1-one is sourced from PubChem (CID 10646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).