prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate

C11H14O4 — CID 153408459

IUPACprop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate
SMILESC=CC(=O)OOC(=O)C1=CCC(C)(C)C1
InChIInChI=1S/C11H14O4/c1-4-9(12)14-15-10(13)8-5-6-11(2,3)7-8/h4-5H,1,6-7H2,2-3H3
InChIKeyOQKZGLDTTKFISX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.92
Rot. Bonds2

About prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate

prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate (PubChem CID 153408459) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate.

Molecular Properties

Compound Nameprop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate
PubChem CID153408459
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameprop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate
SMILESC=CC(=O)OOC(=O)C1=CCC(C)(C)C1
InChIInChI=1S/C11H14O4/c1-4-9(12)14-15-10(13)8-5-6-11(2,3)7-8/h4-5H,1,6-7H2,2-3H3
InChIKeyOQKZGLDTTKFISX-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoyl oxirene-2-carboperoxoate;hydrate
CID 156773444
1-(4,4-dimethylcyclopenten-1-yl)hex-4-en-1-one
CID 154169281
(1-methyl-3-oxocyclobutyl) prop-2-enoate
CID 154597536
methyl 5,5-dimethylcyclohexene-1-carboxylate
CID 20694542
methyl 4,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 86157121
propan-2-yl 2-prop-2-enoylperoxycarbonylbenzoate
CID 18506015
prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate
CID 176729362
methyl prop-2-enoate;3,5,5-trimethylcyclohex-2-en-1-one
CID 174580204
prop-2-enoyl 2-ethyl-4-methylbenzenecarboperoxoate
CID 174614301
but-1-ene;methyl prop-2-eneperoxoate
CID 157272796
(E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-en-2-one
CID 166083138
dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
CID 66858398

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate?
The IUPAC name of prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate (CID 153408459) is prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate.
What is the SMILES notation for prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate?
The canonical SMILES for prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate is C=CC(=O)OOC(=O)C1=CCC(C)(C)C1.
What is the InChIKey of prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate?
The InChIKey is OQKZGLDTTKFISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-9(12)14-15-10(13)8-5-6-11(2,3)7-8/h4-5H,1,6-7H2,2-3H3.
What are the key properties of prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate?
prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate has a molecular weight of 210.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate is sourced from PubChem (CID 153408459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).