trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one

C12H24O2Si — CID 10966267

IUPACtrans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C)CC(C)(C)C1=O
InChIInChI=1S/C12H24O2Si/c1-9-7-10(14-15(4,5)6)8-12(2,3)11(9)13/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyBLVQWVZYQCZNKJ-NXEZZACHSA-N
MW228.41 g/mol
LogP3.23
Rot. Bonds2

About trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one

trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 10966267) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one
PubChem CID10966267
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C)CC(C)(C)C1=O
InChIInChI=1S/C12H24O2Si/c1-9-7-10(14-15(4,5)6)8-12(2,3)11(9)13/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyBLVQWVZYQCZNKJ-NXEZZACHSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-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 trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one (CID 10966267) is trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one is C[C@@H]1C[C@@H](O[Si](C)(C)C)CC(C)(C)C1=O.
What is the InChIKey of trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is BLVQWVZYQCZNKJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-9-7-10(14-15(4,5)6)8-12(2,3)11(9)13/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one?
trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4R,6R)-2,2,6-trimethyl-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 10966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).