cyclohexyl 2-methoxybenzenecarboperoxoate

C14H18O4 — CID 173268005

IUPACcyclohexyl 2-methoxybenzenecarboperoxoate
SMILESCOc1ccccc1C(=O)OOC1CCCCC1
InChIInChI=1S/C14H18O4/c1-16-13-10-6-5-9-12(13)14(15)18-17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyZERZINQPASITBM-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.12
Rot. Bonds4

About cyclohexyl 2-methoxybenzenecarboperoxoate

cyclohexyl 2-methoxybenzenecarboperoxoate (PubChem CID 173268005) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is cyclohexyl 2-methoxybenzenecarboperoxoate.

Molecular Properties

Compound Namecyclohexyl 2-methoxybenzenecarboperoxoate
PubChem CID173268005
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namecyclohexyl 2-methoxybenzenecarboperoxoate
SMILESCOc1ccccc1C(=O)OOC1CCCCC1
InChIInChI=1S/C14H18O4/c1-16-13-10-6-5-9-12(13)14(15)18-17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyZERZINQPASITBM-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze cyclohexyl 2-methoxybenzenecarboperoxoate 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

cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
CID 173266386
methyl 2-cyclohexyloxybenzoate
CID 11345342
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl benzenecarboperoxoate
CID 154097275
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclopentyl 2,6-dimethylbenzenecarboperoxoate
CID 173265603
ethane;methyl 2-methoxybenzoate
CID 178037044
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methoxybenzenecarboperoxoate?
The IUPAC name of cyclohexyl 2-methoxybenzenecarboperoxoate (CID 173268005) is cyclohexyl 2-methoxybenzenecarboperoxoate.
What is the SMILES notation for cyclohexyl 2-methoxybenzenecarboperoxoate?
The canonical SMILES for cyclohexyl 2-methoxybenzenecarboperoxoate is COc1ccccc1C(=O)OOC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methoxybenzenecarboperoxoate?
The InChIKey is ZERZINQPASITBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-13-10-6-5-9-12(13)14(15)18-17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 2-methoxybenzenecarboperoxoate?
cyclohexyl 2-methoxybenzenecarboperoxoate has a molecular weight of 250.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methoxybenzenecarboperoxoate is sourced from PubChem (CID 173268005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).