(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate

C15H20O4 — CID 173266386

IUPAC(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
SMILESCOc1ccccc1C(=O)OOC1CCCCC1C
InChIInChI=1S/C15H20O4/c1-11-7-3-5-9-13(11)18-19-15(16)12-8-4-6-10-14(12)17-2/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3
InChIKeyLNQSTHBOUPJVOO-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.36
Rot. Bonds4

About (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate

(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate (PubChem CID 173266386) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
PubChem CID173266386
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
SMILESCOc1ccccc1C(=O)OOC1CCCCC1C
InChIInChI=1S/C15H20O4/c1-11-7-3-5-9-13(11)18-19-15(16)12-8-4-6-10-14(12)17-2/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3
InChIKeyLNQSTHBOUPJVOO-UHFFFAOYSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.36
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 (2-methylcyclohexyl) 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

cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
CID 173265290
(2-methylcyclohexyl) N-(2-methoxyphenyl)carbamate
CID 3641247
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
ethane;methyl 2-methoxybenzoate
CID 178037044
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl] 2-methoxybenzoate
CID 7065948

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate?
The IUPAC name of (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate (CID 173266386) is (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate.
What is the SMILES notation for (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate?
The canonical SMILES for (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate is COc1ccccc1C(=O)OOC1CCCCC1C.
What is the InChIKey of (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate?
The InChIKey is LNQSTHBOUPJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11-7-3-5-9-13(11)18-19-15(16)12-8-4-6-10-14(12)17-2/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3.
What are the key properties of (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate?
(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate has a molecular weight of 264.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate is sourced from PubChem (CID 173266386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).