cyclopentyl 3,5-dimethoxybenzenecarboperoxoate

C14H18O5 — CID 173267647

IUPACcyclopentyl 3,5-dimethoxybenzenecarboperoxoate
SMILESCOc1cc(OC)cc(C(=O)OOC2CCCC2)c1
InChIInChI=1S/C14H18O5/c1-16-12-7-10(8-13(9-12)17-2)14(15)19-18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyUDRUJAZZALOPQP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.73
Rot. Bonds5

About cyclopentyl 3,5-dimethoxybenzenecarboperoxoate

cyclopentyl 3,5-dimethoxybenzenecarboperoxoate (PubChem CID 173267647) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is cyclopentyl 3,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Namecyclopentyl 3,5-dimethoxybenzenecarboperoxoate
PubChem CID173267647
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namecyclopentyl 3,5-dimethoxybenzenecarboperoxoate
SMILESCOc1cc(OC)cc(C(=O)OOC2CCCC2)c1
InChIInChI=1S/C14H18O5/c1-16-12-7-10(8-13(9-12)17-2)14(15)19-18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyUDRUJAZZALOPQP-UHFFFAOYSA-N
XLogP2.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

cyclopentyl 3,4-dimethylbenzenecarboperoxoate
CID 173266122
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
CID 87001615
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610
cyclohexyl benzenecarboperoxoate
CID 154097275
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
cyclododecyl 2,4,6-trimethylbenzenecarboperoxoate
CID 173265630
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of cyclopentyl 3,5-dimethoxybenzenecarboperoxoate (CID 173267647) is cyclopentyl 3,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for cyclopentyl 3,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for cyclopentyl 3,5-dimethoxybenzenecarboperoxoate is COc1cc(OC)cc(C(=O)OOC2CCCC2)c1.
What is the InChIKey of cyclopentyl 3,5-dimethoxybenzenecarboperoxoate?
The InChIKey is UDRUJAZZALOPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-12-7-10(8-13(9-12)17-2)14(15)19-18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 3,5-dimethoxybenzenecarboperoxoate?
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate has a molecular weight of 266.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173267647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).