cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate

C15H20O4 — CID 173265927

IUPACcyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
SMILESCC(C)Oc1ccc(C(=O)OOC2CCCC2)cc1
InChIInChI=1S/C15H20O4/c1-11(2)17-13-9-7-12(8-10-13)15(16)19-18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyZZYRRCCJKXMRSP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.50
Rot. Bonds5

About cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate

cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate (PubChem CID 173265927) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate.

Molecular Properties

Compound Namecyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
PubChem CID173265927
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namecyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
SMILESCC(C)Oc1ccc(C(=O)OOC2CCCC2)cc1
InChIInChI=1S/C15H20O4/c1-11(2)17-13-9-7-12(8-10-13)15(16)19-18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyZZYRRCCJKXMRSP-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.50
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'}

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Related Compounds

cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759
cyclohexyl benzenecarboperoxoate
CID 154097275
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
fluoro 4-propan-2-yloxybenzoate
CID 174701102
cyclohexyl 4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 17128785
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603433
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate?
The IUPAC name of cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate (CID 173265927) is cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate.
What is the SMILES notation for cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate?
The canonical SMILES for cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate is CC(C)Oc1ccc(C(=O)OOC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate?
The InChIKey is ZZYRRCCJKXMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)17-13-9-7-12(8-10-13)15(16)19-18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate?
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate has a molecular weight of 264.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate is sourced from PubChem (CID 173265927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).