cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

C22H39NO4Si — CID 22670492

IUPACcyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H39NO4Si/c1-4-28(5-2,6-3)27-20-19(17-13-9-7-10-14-17)23(21(20)24)22(25)26-18-15-11-8-12-16-18/h17-20H,4-16H2,1-3H3
InChIKeyJPOQTLUZRFSBQG-UHFFFAOYSA-N
MW409.64 g/mol
LogP5.64
Rot. Bonds7

About cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 22670492) has the molecular formula C22H39NO4Si and a molecular weight of 409.64 g/mol. Its IUPAC name is cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID22670492
Molecular FormulaC22H39NO4Si
Molecular Weight409.64 g/mol
Exact Mass409.26
IUPAC Namecyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C22H39NO4Si/c1-4-28(5-2,6-3)27-20-19(17-13-9-7-10-14-17)23(21(20)24)22(25)26-18-15-11-8-12-16-18/h17-20H,4-16H2,1-3H3
InChIKeyJPOQTLUZRFSBQG-UHFFFAOYSA-N
XLogP5.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate 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

propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
CID 54385763
benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
CID 54512458
cyclohexyl (3S,4S)-2-oxo-4-thiophen-2-yl-3-triethylsilyloxyazetidine-1-carboxylate
CID 15895143
7-triethylsilyloxycyclododecan-1-ol
CID 67068092
[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate
CID 140589441
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl N-ethylcarbamate
CID 22978796
cyclododecyl 2-methylidenebutanoate
CID 57244431
cyclohexyl 2-(4-acetyl-5-methyltriazol-1-yl)butanoate
CID 82202583
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclohexyl 2-[(2-cyclohexyloxy-2-oxoethyl)disulfanyl]acetate
CID 154117356
cyclohexyl acetate;iodoethane
CID 174262238

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (CID 22670492) is cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)OC1C(=O)N(C(=O)OC2CCCCC2)C1C1CCCCC1.
What is the InChIKey of cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is JPOQTLUZRFSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si/c1-4-28(5-2,6-3)27-20-19(17-13-9-7-10-14-17)23(21(20)24)22(25)26-18-15-11-8-12-16-18/h17-20H,4-16H2,1-3H3.
What are the key properties of cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 409.64 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 22670492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).