cyclopentyl 4-ethylbenzenecarboperoxoate

C14H18O3 — CID 173266151

IUPACcyclopentyl 4-ethylbenzenecarboperoxoate
SMILESCCc1ccc(C(=O)OOC2CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-11-7-9-12(10-8-11)14(15)17-16-13-5-3-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyIGBSFMFHEBUFGP-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.28
Rot. Bonds4

About cyclopentyl 4-ethylbenzenecarboperoxoate

cyclopentyl 4-ethylbenzenecarboperoxoate (PubChem CID 173266151) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopentyl 4-ethylbenzenecarboperoxoate.

Molecular Properties

Compound Namecyclopentyl 4-ethylbenzenecarboperoxoate
PubChem CID173266151
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namecyclopentyl 4-ethylbenzenecarboperoxoate
SMILESCCc1ccc(C(=O)OOC2CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-11-7-9-12(10-8-11)14(15)17-16-13-5-3-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyIGBSFMFHEBUFGP-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-butylcyclohexyl) 4-ethylbenzenecarboperoxoate
CID 173267610
cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759
(3,3,5-trimethylcyclohexyl) 4-ethylbenzenecarboperoxoate
CID 173265840
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
cyclohexyl benzenecarboperoxoate
CID 154097275
cyclopentyl 3,4-dimethylbenzenecarboperoxoate
CID 173266122
(4-tert-butylcyclohexyl) 4-ethoxybenzenecarboperoxoate
CID 173265590
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
propan-2-yl 4-ethylbenzenecarboperoxoate
CID 173268012
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
(4-methylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173266059

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-ethylbenzenecarboperoxoate?
The IUPAC name of cyclopentyl 4-ethylbenzenecarboperoxoate (CID 173266151) is cyclopentyl 4-ethylbenzenecarboperoxoate.
What is the SMILES notation for cyclopentyl 4-ethylbenzenecarboperoxoate?
The canonical SMILES for cyclopentyl 4-ethylbenzenecarboperoxoate is CCc1ccc(C(=O)OOC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-ethylbenzenecarboperoxoate?
The InChIKey is IGBSFMFHEBUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-11-7-9-12(10-8-11)14(15)17-16-13-5-3-4-6-13/h7-10,13H,2-6H2,1H3.
What are the key properties of cyclopentyl 4-ethylbenzenecarboperoxoate?
cyclopentyl 4-ethylbenzenecarboperoxoate has a molecular weight of 234.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-ethylbenzenecarboperoxoate is sourced from PubChem (CID 173266151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).